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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-05-09 20:52:28 UTC

Update Date

2022-03-07 03:17:38 UTC

HMDB ID

HMDB0060071

Secondary Accession Numbers

HMDB60071

Metabolite Identification

Common Name

Hyaluronan biosynthesis, precursor 1

Description

Hyaluronan biosynthesis, precursor 1, also known as b-D-4-deoxy-delta(4)-glca-(1->3)-b-D-glcnac, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. Hyaluronan biosynthesis, precursor 1 is a moderately basic compound (based on its pKa). These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv0541 05091313522D          

 26 27  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  4  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  1  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
  8 15  1  6  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
  5 18  1  1  0  0  0
  9 19  1  6  0  0  0
 10 20  1  6  0  0  0
 21 12  2  0  0  0  0
 22 12  1  0  0  0  0
 13 23  1  1  0  0  0
 24  7  1  0  0  0  0
 24 13  1  0  0  0  0
 25  6  1  0  0  0  0
 25 14  1  0  0  0  0
 11 26  1  1  0  0  0
 14 26  1  1  0  0  0
M  END

HMDB0060071
     RDKit          3D
Hyaluronan biosynthesis, precursor 1
 47 48  0  0  0  0  0  0  0  0999 V2000
    3.3820    2.2500   -1.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1668    2.6557   -1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067    3.9946   -1.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324    1.8562   -0.3577 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084    0.4273   -0.2474 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9240    0.1892    0.5686 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7658   -0.6854   -0.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645   -0.2958    1.8247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7593   -1.1533    2.0777 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2355   -2.3395    2.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450   -1.8822    4.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0482   -1.6129    0.8229 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0677   -2.5395    1.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.3042    0.2530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4064   -0.5655   -0.7828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -0.1525   -0.5448 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6176   -1.2246   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9683   -0.8604   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750   -1.8540   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1845   -1.5379    0.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6484   -3.1919    0.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3640    0.3885   -0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    1.4961   -0.8995 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0087    2.4524   -1.7018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2160    0.8407   -1.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3143    1.8132   -1.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4318    2.8568   -2.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3598    1.1932   -2.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3102    2.4814   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563    4.3415   -1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    0.0734   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    1.1545    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6392   -0.7976    0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852   -0.6431    2.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -2.9531    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518   -2.9847    3.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410   -2.5644    4.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8438   -1.9912    0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423   -3.2878    0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    0.1943    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363    0.3241    0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9327   -3.4856    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4195    0.6668   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595    1.9078    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2834    2.9673   -2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6248    0.2849   -2.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    2.0975   -2.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14  5  1  0
 25 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  5 31  1  6
  6 32  1  1
  7 33  1  0
  9 34  1  1
 10 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  6
 13 39  1  0
 14 40  1  1
 16 41  1  1
 21 42  1  0
 22 43  1  0
 23 44  1  1
 24 45  1  0
 25 46  1  6
 26 47  1  0
M  END

  Mrv0541 05091313522D          

 26 27  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  4  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  1  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
  8 15  1  6  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
  5 18  1  1  0  0  0
  9 19  1  6  0  0  0
 10 20  1  6  0  0  0
 21 12  2  0  0  0  0
 22 12  1  0  0  0  0
 13 23  1  1  0  0  0
 24  7  1  0  0  0  0
 24 13  1  0  0  0  0
 25  6  1  0  0  0  0
 25 14  1  0  0  0  0
 11 26  1  1  0  0  0
 14 26  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0060071

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11+,13+,14-/m0/s1

> <INCHI_KEY>
DLGJWSVWTWEWBJ-UCFDOFRFSA-N

> <FORMULA>
C14H21NO11

> <MOLECULAR_WEIGHT>
379.3166

> <EXACT_MASS>
379.111460519

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
34.31922868815841

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S)-2-{[(2R,3R,4R,5S,6R)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

> <ALOGPS_LOGP>
-2.59

> <JCHEM_LOGP>
-3.2142602790539083

> <ALOGPS_LOGS>
-0.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.2476387195661065

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.112823890808677

> <JCHEM_PKA_STRONGEST_BASIC>
1.2367084032184077

> <JCHEM_POLAR_SURFACE_AREA>
198.72999999999996

> <JCHEM_REFRACTIVITY>
80.1881

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.11e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S,5R,6R)-6-{[(2R,3R,4R,5S,6R)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060071
     RDKit          3D
Hyaluronan biosynthesis, precursor 1
 47 48  0  0  0  0  0  0  0  0999 V2000
    3.3820    2.2500   -1.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1668    2.6557   -1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067    3.9946   -1.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324    1.8562   -0.3577 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084    0.4273   -0.2474 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9240    0.1892    0.5686 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7658   -0.6854   -0.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645   -0.2958    1.8247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7593   -1.1533    2.0777 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2355   -2.3395    2.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450   -1.8822    4.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0482   -1.6129    0.8229 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0677   -2.5395    1.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.3042    0.2530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4064   -0.5655   -0.7828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -0.1525   -0.5448 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6176   -1.2246   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9683   -0.8604   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750   -1.8540   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1845   -1.5379    0.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6484   -3.1919    0.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3640    0.3885   -0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    1.4961   -0.8995 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0087    2.4524   -1.7018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2160    0.8407   -1.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3143    1.8132   -1.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4318    2.8568   -2.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3598    1.1932   -2.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3102    2.4814   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563    4.3415   -1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    0.0734   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    1.1545    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6392   -0.7976    0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852   -0.6431    2.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -2.9531    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518   -2.9847    3.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410   -2.5644    4.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8438   -1.9912    0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423   -3.2878    0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    0.1943    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363    0.3241    0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9327   -3.4856    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4195    0.6668   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595    1.9078    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2834    2.9673   -2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6248    0.2849   -2.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    2.0975   -2.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14  5  1  0
 25 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  5 31  1  6
  6 32  1  1
  7 33  1  0
  9 34  1  1
 10 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  6
 13 39  1  0
 14 40  1  1
 16 41  1  1
 21 42  1  0
 22 43  1  0
 23 44  1  1
 24 45  1  0
 25 46  1  6
 26 47  1  0
M  END

HEADER    PROTEIN                                 09-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-MAY-13         0                                  
HETATM    1  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      -1.334  -6.930   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
CONECT    1    4                                                            
CONECT    2    5    6                                                       
CONECT    3    7   16                                                       
CONECT    4    1   15   17                                                  
CONECT    5    2    9   18                                                  
CONECT    6    2   12   25                                                  
CONECT    7    3   10   24                                                  
CONECT    8   11   13   15                                                  
CONECT    9    5   14   19                                                  
CONECT   10    7   11   20                                                  
CONECT   11    8   10   26                                                  
CONECT   12    6   21   22                                                  
CONECT   13    8   23   24                                                  
CONECT   14    9   25   26                                                  
CONECT   15    4    8                                                       
CONECT   16    3                                                            
CONECT   17    4                                                            
CONECT   18    5                                                            
CONECT   19    9                                                            
CONECT   20   10                                                            
CONECT   21   12                                                            
CONECT   22   12                                                            
CONECT   23   13                                                            
CONECT   24    7   13                                                       
CONECT   25    6   14                                                       
CONECT   26   11   14                                                       
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

COMPND    HMDB0060071
HETATM    1  C1  UNL     1       3.382   2.250  -1.776  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.167   2.656  -1.028  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.807   3.995  -1.062  1.00  0.00           O  
HETATM    4  N1  UNL     1       1.432   1.856  -0.358  1.00  0.00           N  
HETATM    5  C3  UNL     1       1.708   0.427  -0.247  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.924   0.189   0.569  1.00  0.00           C  
HETATM    7  O2  UNL     1       3.766  -0.685  -0.126  1.00  0.00           O  
HETATM    8  O3  UNL     1       2.764  -0.296   1.825  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.759  -1.153   2.078  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.236  -2.340   2.894  1.00  0.00           C  
HETATM   11  O4  UNL     1       2.745  -1.882   4.099  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.048  -1.613   0.823  1.00  0.00           C  
HETATM   13  O5  UNL     1       0.068  -2.539   1.068  1.00  0.00           O  
HETATM   14  C8  UNL     1       0.479  -0.304   0.253  1.00  0.00           C  
HETATM   15  O6  UNL     1      -0.406  -0.566  -0.783  1.00  0.00           O  
HETATM   16  C9  UNL     1      -1.690  -0.153  -0.545  1.00  0.00           C  
HETATM   17  O7  UNL     1      -2.618  -1.225  -0.494  1.00  0.00           O  
HETATM   18  C10 UNL     1      -3.968  -0.860  -0.362  1.00  0.00           C  
HETATM   19  C11 UNL     1      -4.975  -1.854  -0.019  1.00  0.00           C  
HETATM   20  O8  UNL     1      -6.184  -1.538   0.101  1.00  0.00           O  
HETATM   21  O9  UNL     1      -4.648  -3.192   0.193  1.00  0.00           O  
HETATM   22  C12 UNL     1      -4.364   0.388  -0.546  1.00  0.00           C  
HETATM   23  C13 UNL     1      -3.442   1.496  -0.899  1.00  0.00           C  
HETATM   24  O10 UNL     1      -4.009   2.452  -1.702  1.00  0.00           O  
HETATM   25  C14 UNL     1      -2.216   0.841  -1.549  1.00  0.00           C  
HETATM   26  O11 UNL     1      -1.314   1.813  -1.899  1.00  0.00           O  
HETATM   27  H1  UNL     1       3.432   2.857  -2.708  1.00  0.00           H  
HETATM   28  H2  UNL     1       3.360   1.193  -2.102  1.00  0.00           H  
HETATM   29  H3  UNL     1       4.310   2.481  -1.212  1.00  0.00           H  
HETATM   30  H4  UNL     1       1.356   4.342  -1.913  1.00  0.00           H  
HETATM   31  H5  UNL     1       1.857   0.073  -1.297  1.00  0.00           H  
HETATM   32  H6  UNL     1       3.490   1.155   0.635  1.00  0.00           H  
HETATM   33  H7  UNL     1       4.639  -0.798   0.344  1.00  0.00           H  
HETATM   34  H8  UNL     1       0.985  -0.643   2.705  1.00  0.00           H  
HETATM   35  H9  UNL     1       2.970  -2.953   2.326  1.00  0.00           H  
HETATM   36  H10 UNL     1       1.352  -2.985   3.084  1.00  0.00           H  
HETATM   37  H11 UNL     1       3.341  -2.564   4.486  1.00  0.00           H  
HETATM   38  H12 UNL     1       1.844  -1.991   0.130  1.00  0.00           H  
HETATM   39  H13 UNL     1       0.142  -3.288   0.415  1.00  0.00           H  
HETATM   40  H14 UNL     1      -0.018   0.194   1.089  1.00  0.00           H  
HETATM   41  H15 UNL     1      -1.736   0.324   0.477  1.00  0.00           H  
HETATM   42  H16 UNL     1      -3.933  -3.486   0.839  1.00  0.00           H  
HETATM   43  H17 UNL     1      -5.420   0.667  -0.442  1.00  0.00           H  
HETATM   44  H18 UNL     1      -3.059   1.908   0.071  1.00  0.00           H  
HETATM   45  H19 UNL     1      -3.283   2.967  -2.146  1.00  0.00           H  
HETATM   46  H20 UNL     1      -2.625   0.285  -2.429  1.00  0.00           H  
HETATM   47  H21 UNL     1      -1.454   2.097  -2.858  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3    4    4
CONECT    3   30
CONECT    4    5
CONECT    5    6   14   31
CONECT    6    7    8   32
CONECT    7   33
CONECT    8    9
CONECT    9   10   12   34
CONECT   10   11   35   36
CONECT   11   37
CONECT   12   13   14   38
CONECT   13   39
CONECT   14   15   40
CONECT   15   16
CONECT   16   17   25   41
CONECT   17   18
CONECT   18   19   22   22
CONECT   19   20   20   21
CONECT   21   42
CONECT   22   23   43
CONECT   23   24   25   44
CONECT   24   45
CONECT   25   26   46
CONECT   26   47
END

HMDB0060071
     RDKit          3D
Hyaluronan biosynthesis, precursor 1
 47 48  0  0  0  0  0  0  0  0999 V2000
    3.3820    2.2500   -1.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1668    2.6557   -1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067    3.9946   -1.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324    1.8562   -0.3577 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084    0.4273   -0.2474 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9240    0.1892    0.5686 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7658   -0.6854   -0.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645   -0.2958    1.8247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7593   -1.1533    2.0777 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2355   -2.3395    2.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450   -1.8822    4.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0482   -1.6129    0.8229 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0677   -2.5395    1.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.3042    0.2530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4064   -0.5655   -0.7828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -0.1525   -0.5448 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6176   -1.2246   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9683   -0.8604   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750   -1.8540   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1845   -1.5379    0.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6484   -3.1919    0.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3640    0.3885   -0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    1.4961   -0.8995 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0087    2.4524   -1.7018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2160    0.8407   -1.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3143    1.8132   -1.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4318    2.8568   -2.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3598    1.1932   -2.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3102    2.4814   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563    4.3415   -1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    0.0734   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    1.1545    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6392   -0.7976    0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852   -0.6431    2.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -2.9531    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518   -2.9847    3.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410   -2.5644    4.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8438   -1.9912    0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423   -3.2878    0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    0.1943    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363    0.3241    0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9327   -3.4856    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4195    0.6668   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595    1.9078    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2834    2.9673   -2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6248    0.2849   -2.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    2.0975   -2.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14  5  1  0
 25 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  5 31  1  6
  6 32  1  1
  7 33  1  0
  9 34  1  1
 10 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  6
 13 39  1  0
 14 40  1  1
 16 41  1  1
 21 42  1  0
 22 43  1  0
 23 44  1  1
 24 45  1  0
 25 46  1  6
 26 47  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-(Acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-glucopyranose	ChEBI
3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose	ChEBI
3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine	ChEBI
beta-D-4-Deoxy-Delta(4)-glca-(1->3)-beta-D-glcnac	ChEBI
2-(Acetylamino)-2-deoxy-3-O-(4-deoxy-a-L-threo-hex-4-enopyranuronosyl)-b-D-glucopyranose	Generator
2-(Acetylamino)-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-β-D-glucopyranose	Generator
3-(4-Deoxy-a-L-threo-hex-4-enopyranosyluronate)-2-acetamido-2-deoxy-D-glucose	Generator
3-(4-Deoxy-a-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose	Generator
3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-2-acetamido-2-deoxy-D-glucose	Generator
3-(4-Deoxy-α-L-threo-hex-4-enopyranosyluronate)-2-acetamido-2-deoxy-D-glucose	Generator
3-(4-Deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose	Generator
3-(4-Deoxy-b-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine	Generator
3-(4-Deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine	Generator
b-D-4-Deoxy-delta(4)-glca-(1->3)-b-D-glcnac	Generator
Β-D-4-deoxy-δ(4)-glca-(1->3)-β-D-glcnac	Generator
3-(4-Deoxy-b-D-gluc-4-enosyluronate)-N-acetyl-D-glucosamine	HMDB
3-(4-Deoxy-b-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine	HMDB
3-(4-Deoxy-beta-D-gluc-4-enosyluronate)-N-acetyl-D-glucosamine	HMDB
3-(4-Deoxy-β-D-gluc-4-enosyluronate)-N-acetyl-D-glucosamine	HMDB
3-(4-Deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine	HMDB
b-D-4-Deoxy-δ(4)-glca-(1->3)-b-D-glcnac	HMDB

Chemical Formula

C₁₄H₂₁NO₁₁

Average Molecular Weight

379.3166

Monoisotopic Molecular Weight

379.111460519

IUPAC Name

(2R,3R,4S)-2-{[(2R,3R,4R,5S,6R)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Traditional Name

(4S,5R,6R)-6-{[(2R,3R,4R,5S,6R)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11+,13+,14-/m0/s1

InChI Key

DLGJWSVWTWEWBJ-UCFDOFRFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Acylaminosugars

Alternative Parents

Substituents

Acylaminosugar
N-acyl-alpha-hexosamine
Disaccharide
Oxane
Acetamide
Carboxamide group
Hemiacetal
Secondary carboxylic acid amide
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Organic oxide
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organonitrogen compound
Organopnictogen compound
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

alpha,beta-unsaturated monocarboxylic acid (CHEBI:16126 )
amino disaccharide (CHEBI:16126 )

Ontology

Not Available

Exogenous (HMDB: HMDB0060071)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	51.1 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-3.2	ChemAxon
logS	-0.87	ALOGPS
pKa (Strongest Acidic)	3.11	ChemAxon
pKa (Strongest Basic)	1.24	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	198.73 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	80.19 m³·mol⁻¹	ChemAxon
Polarizability	34.32 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	183.944	31661259
DarkChem	[M-H]-	175.213	31661259
DeepCCS	[M+H]+	175.995	30932474
DeepCCS	[M-H]-	173.926	30932474
DeepCCS	[M-2H]-	207.166	30932474
DeepCCS	[M+Na]+	181.894	30932474
AllCCS	[M+H]+	184.6	32859911
AllCCS	[M+H-H2O]+	181.9	32859911
AllCCS	[M+NH4]+	187.0	32859911
AllCCS	[M+Na]+	187.8	32859911
AllCCS	[M-H]-	182.4	32859911
AllCCS	[M+Na-2H]-	182.1	32859911
AllCCS	[M+HCOO]-	182.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Hyaluronan biosynthesis, precursor 1	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O	4677.7	Standard polar	33892256
Hyaluronan biosynthesis, precursor 1	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O	3098.6	Standard non polar	33892256
Hyaluronan biosynthesis, precursor 1	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O	3167.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Hyaluronan biosynthesis, precursor 1,1TMS,isomer #1	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2970.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TMS,isomer #2	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	2921.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TMS,isomer #3	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	2919.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TMS,isomer #4	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	2920.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TMS,isomer #5	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O	2954.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TMS,isomer #6	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C	2926.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TMS,isomer #7	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O	2872.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2948.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #10	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O	2937.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #11	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C	2892.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #12	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	2888.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #13	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O	2828.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #14	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O	2933.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #15	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C	2893.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #16	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O	2800.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #17	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O	2928.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #18	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C	2885.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #19	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O	2858.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #2	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2946.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #20	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2942.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #21	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C	2821.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #3	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2928.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #4	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2907.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #5	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2993.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #6	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2968.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #7	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	2885.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #8	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	2877.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TMS,isomer #9	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O	2816.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2872.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #10	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2781.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #11	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2906.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #12	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2879.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #13	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2815.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #14	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2819.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #15	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2933.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #16	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	2833.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #17	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O	2789.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #18	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O	2900.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #19	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C	2870.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #2	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2850.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #20	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O	2758.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #21	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O	2889.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #22	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C	2846.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #23	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O	2808.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #24	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C	2798.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #25	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2916.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #26	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O	2797.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #27	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O	2902.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #28	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C	2876.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #29	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O	2824.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #3	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2806.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #30	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C	2815.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #31	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2913.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #32	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O	2796.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #33	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C	2783.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #34	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2896.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #35	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2819.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #4	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2933.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #5	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2901.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #6	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2872.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #7	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2820.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #8	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2932.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TMS,isomer #9	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2909.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2780.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #10	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2906.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #11	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2758.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #12	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2865.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #13	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2850.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #14	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2786.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #15	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2797.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #16	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2897.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #17	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2768.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #18	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2761.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #19	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2883.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #2	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2756.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #20	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2809.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #21	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O	2772.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #22	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O	2866.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #23	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C	2840.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #24	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O	2819.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #25	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C	2825.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #26	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2902.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #27	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O	2802.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #28	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C	2797.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #29	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2881.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #3	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2862.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #30	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2847.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #31	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O	2825.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #32	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C	2821.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #33	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2901.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #34	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2849.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #35	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2827.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #4	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2844.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #5	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2727.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #6	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2856.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #7	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2818.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #8	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2783.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TMS,isomer #9	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2784.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C	2705.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #10	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2802.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #11	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2766.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #12	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2751.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #13	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2836.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #14	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2794.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #15	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2771.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #16	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O	2812.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #17	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C	2793.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #18	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2873.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #19	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2849.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #2	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2807.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #20	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2825.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #21	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2846.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #3	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2770.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #4	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2767.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #5	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2760.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #6	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2848.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #7	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2747.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #8	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2721.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,5TMS,isomer #9	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2836.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,6TMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2769.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,6TMS,isomer #2	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2737.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,6TMS,isomer #3	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2818.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,6TMS,isomer #4	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2793.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,6TMS,isomer #5	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2765.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,6TMS,isomer #6	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2778.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,6TMS,isomer #7	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2833.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,7TMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2801.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TBDMS,isomer #1	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3197.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TBDMS,isomer #2	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	3145.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TBDMS,isomer #3	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	3151.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TBDMS,isomer #4	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	3133.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TBDMS,isomer #5	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3171.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TBDMS,isomer #6	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3155.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,1TBDMS,isomer #7	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O	3122.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3343.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #10	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3326.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #11	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3316.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #12	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	3300.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #13	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O	3282.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #14	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3325.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #15	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3319.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #16	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O	3250.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #17	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3316.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #18	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3304.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #19	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3297.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #2	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3347.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #20	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3334.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #21	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3289.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #3	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3324.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #4	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3337.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #5	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3393.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #6	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3392.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #7	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	3288.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #8	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	3282.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,2TBDMS,isomer #9	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O	3275.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3493.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #10	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3439.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #11	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3529.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #12	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3523.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #13	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3494.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #14	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3491.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #15	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3549.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #16	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O	3465.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #17	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O	3436.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #18	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3504.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #19	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3491.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #2	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3474.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #20	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O	3415.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #21	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3499.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #22	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3481.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #23	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3455.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #24	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3446.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #25	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3518.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #26	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O	3439.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #27	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3514.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #28	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3502.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #29	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3468.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #3	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3465.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #30	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3459.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #31	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3522.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #32	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3439.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #33	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3426.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #34	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3510.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #35	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3470.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #4	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3551.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #5	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3541.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #6	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3494.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #7	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3473.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #8	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3551.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,3TBDMS,isomer #9	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3545.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #1	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3626.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #10	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3729.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #11	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3584.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #12	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3700.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #13	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3676.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #14	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3634.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #15	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3621.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #16	CC(=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3718.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #17	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3615.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #18	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3595.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #19	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3707.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #2	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3589.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #20	CC(=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3663.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #21	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O	3583.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #22	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3675.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #23	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3657.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #24	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3612.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #25	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3607.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #26	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3689.6	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #27	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3591.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #28	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3584.7	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #29	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3682.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #3	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3699.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #30	CC(O)=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3638.0	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #31	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3625.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #32	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3619.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #33	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3700.4	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #34	CC(O)=N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3646.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #35	CC(O)=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3630.3	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #4	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3675.5	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #5	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3562.2	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #6	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3690.8	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #7	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3659.1	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #8	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3646.9	Semi standard non polar	33892256
Hyaluronan biosynthesis, precursor 1,4TBDMS,isomer #9	CC(=N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3624.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Hyaluronan biosynthesis, precursor 1 GC-MS (Non-derivatized) - 70eV, Positive	splash10-0229-9245000000-f93299417c022ace0dd2	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hyaluronan biosynthesis, precursor 1 GC-MS (4 TMS) - 70eV, Positive	splash10-0udl-9100125000-0b1ed86790addfe386f5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hyaluronan biosynthesis, precursor 1 GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hyaluronan biosynthesis, precursor 1 GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hyaluronan biosynthesis, precursor 1 10V, Positive-QTOF	splash10-0h90-0169000000-a40df014ee5a187c1868	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hyaluronan biosynthesis, precursor 1 20V, Positive-QTOF	splash10-0uk9-1493000000-6b4cc1076d17a105fc35	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hyaluronan biosynthesis, precursor 1 40V, Positive-QTOF	splash10-0umi-7890000000-44ef953438b8d3392b85	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hyaluronan biosynthesis, precursor 1 10V, Negative-QTOF	splash10-005i-4339000000-99892fc0e7705786280f	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hyaluronan biosynthesis, precursor 1 20V, Negative-QTOF	splash10-0fk9-7597000000-091f8f5113b376ae985e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hyaluronan biosynthesis, precursor 1 40V, Negative-QTOF	splash10-0pb9-9500000000-ff39213001c0f079dcc6	2017-10-06	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C04794

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440484

PDB ID

Not Available

ChEBI ID

16126

Food Biomarker Ontology

Not Available

VMH ID

HA_PRE1

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Showing metabocard for Hyaluronan biosynthesis, precursor 1 (HMDB0060071)

MOL for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

3D MOL for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

3D SDF for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

3D-SDF for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

PDB for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

3D PDB for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

SMILES for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

INCHI for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

Structure for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

3D Structure for HMDB0060071 (Hyaluronan biosynthesis, precursor 1)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra