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Showing metabocard for Ganglioside GA2 (d18:1/16:0) (HMDB0004890)

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enzymes (10) Show 10 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-11-30 19:02:45 UTC
HMDB IDHMDB0004890
Secondary Accession Numbers
  • HMDB04890
Metabolite Identification
Common NameGanglioside GA2 (d18:1/16:0)
DescriptionGanglioside GA2 (d18:1/16:0) is a glycosphingolipid (ceramide and oligosaccharide)or oligoglycosylceramide with one or more sialic acids (i.e. n-acetylneuraminic acid) linked on the sugar chain. It is a component the cell plasma membrane which modulates cell signal transduction events. Gangliosides have been found to be highly important in immunology. Ganglioside GA2 carries a net-negative charge at pH 7.0 and is acidic. Gangliosides can amount to 6% of the weight of lipids from brain, but they are found at low levels in all animal tissues. Gangliosides are glycosphingolipids. There are four types of glycosphingolipids, the cerebrosides, sulfatides, globosides and gangliosides. Gangliosides are very similar to globosides except that they also contain N-acetyl neuraminic acid (NANA) in varying amounts. The specific names for the gangliosides provide information about their structure. The letter G refers to ganglioside, and the subscripts M, D, T and Q indicate that the molecule contains mono-, di-, tri and quatra-sialic acid. The numbered subscripts 1, 2 and 3 refer to the carbohydrate sequence that is attached to the ceramide. In particular, 1 stands for GalGalNAcGalGlc-ceramide, 2 stands for GalNAcGalGlc-ceramide and 3 stands for GalGlc-ceramide. Deficiencies in lysosomal enzymes that degrade the carbohydrate portions of various gangliosides are responsible for a number of lysosomal storage diseases such as Tay-Sachs disease, Sandhoff disease, and GM1 gangliosidosis. The carbohydrate portion of the ganglioside GM1 is the site of attachment of cholera toxin, the protein secreted by Vibrio cholerae.
Structure
Data?1582752323
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0004890 (Ganglioside GA2 (d18:1/16:0))


  Mrv0541 02231220042D          

 74 76  0  0  1  0            999 V2000
    7.8015   -4.8059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8015   -5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0870   -4.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0870   -6.0434    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.3725   -5.6309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8305   -6.6316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.1159   -6.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1160   -7.8692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.0923   -8.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5449   -6.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 72 71  1  0  0  0  0
 73 72  1  0  0  0  0
 74 73  1  0  0  0  0
M  END
Download

3D MOL for HMDB0004890 (Ganglioside GA2 (d18:1/16:0))

HMDB0004890
     RDKit          3D
Ganglioside GA2 (d18:1/16:0)
174176  0  0  0  0  0  0  0  0999 V2000
   -2.4009   -3.8725   -4.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551   -2.8660   -3.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5963   -3.1808   -2.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287   -2.2057   -1.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4487   -0.7934   -1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5211    0.2115   -0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2335    1.5702   -0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839    2.6606    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653    3.9833   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672    5.1619    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971    5.0737    1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204    6.3032    2.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760    6.4244    3.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8128    5.2992    4.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8460    4.4924    4.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871    3.3760    5.6227 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5763    3.4850    6.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7530    2.0128    4.8800 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0265    2.0617    4.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4535    1.0789    3.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9387   -0.0363    3.9756 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2784   -0.1146    3.5374 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4545   -0.7048    2.3044 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7320   -0.1262    1.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7693   -0.4146    2.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2796   -0.3502    1.4151 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4763   -0.7608    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6536    0.3401   -0.7357 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4822    0.6884   -1.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3097    6.5687   -5.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3909    4.0314   -7.9193 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0706    4.1479   -8.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3063    1.9936   -9.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4584    1.8123   -6.7175 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2172    0.5729   -6.6635 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670   -0.6915   -6.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3484   -1.9701   -6.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3613    0.4063   -3.1114 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4109   -0.5590   -3.3728 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7101    1.2886   -1.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882   -1.1299    1.9374 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.0084   -1.4932    4.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6008    1.8756    4.0447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.5726    4.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451    1.4171    5.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8846    1.4367    3.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002    1.4059    4.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572    1.1888    3.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6396    1.2457    4.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8273    0.9297    3.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7670   -0.5118    2.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -0.9218    1.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8236   -2.3921    1.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8893   -3.2683    2.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8307   -4.7269    2.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6150   -5.2356    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6311   -6.7447    1.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7961   -7.2184    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for HMDB0004890 (Ganglioside GA2 (d18:1/16:0))


  Mrv0541 02231220042D          

 74 76  0  0  1  0            999 V2000
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   -0.8854   -8.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870   -9.5192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8428   -4.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5524   -5.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2717   -4.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9813   -5.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7005   -4.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4101   -5.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1431   -3.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8526   -3.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5719   -3.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2815   -3.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870  -10.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015  -10.7566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725  -10.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1294   -4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0007   -3.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7104   -3.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4296   -3.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1392   -3.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 21  1  1  0  0  0
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 74 73  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0004890

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C54H100N2O18/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(61)37(56-42(62)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-69-53-48(67)46(65)51(40(33-58)71-53)74-54-49(68)47(66)50(41(34-59)72-54)73-52-43(55-36(3)60)45(64)44(63)39(32-57)70-52/h28,30,37-41,43-54,57-59,61,63-68H,4-27,29,31-35H2,1-3H3,(H,55,60)(H,56,62)/b30-28+/t37-,38+,39+,40+,41+,43+,44-,45+,46+,47+,48?,49+,50-,51+,52-,53+,54-/m0/s1

> <INCHI_KEY>
FYUKXZXCRJNQJV-CITTUYONSA-N

> <FORMULA>
C54H100N2O18

> <MOLECULAR_WEIGHT>
1065.3744

> <EXACT_MASS>
1064.697114406

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
123.24805298806804

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexadecanamide

> <ALOGPS_LOGP>
4.65

> <JCHEM_LOGP>
5.264813012999998

> <ALOGPS_LOGS>
-4.64

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.149565085154325

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.702937370332004

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5178949266128177

> <JCHEM_POLAR_SURFACE_AREA>
315.87999999999994

> <JCHEM_REFRACTIVITY>
274.11690000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
40

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.41e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexadecanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0004890 (Ganglioside GA2 (d18:1/16:0))

HMDB0004890
     RDKit          3D
Ganglioside GA2 (d18:1/16:0)
174176  0  0  0  0  0  0  0  0999 V2000
   -2.4009   -3.8725   -4.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551   -2.8660   -3.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5963   -3.1808   -2.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287   -2.2057   -1.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4487   -0.7934   -1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5211    0.2115   -0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2335    1.5702   -0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839    2.6606    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653    3.9833   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672    5.1619    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971    5.0737    1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204    6.3032    2.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760    6.4244    3.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8128    5.2992    4.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8460    4.4924    4.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871    3.3760    5.6227 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5763    3.4850    6.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7530    2.0128    4.8800 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0265    2.0617    4.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4535    1.0789    3.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9387   -0.0363    3.9756 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2784   -0.1146    3.5374 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4545   -0.7048    2.3044 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7320   -0.1262    1.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7693   -0.4146    2.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2796   -0.3502    1.4151 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4763   -0.7608    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6536    0.3401   -0.7357 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4822    0.6884   -1.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    1.9452   -2.0197 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6387    2.8344   -2.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    4.0424   -2.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139    1.7657   -3.2624 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9526    1.8233   -4.4467 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5213    2.5959   -5.4376 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7636    3.7789   -5.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    4.5404   -6.5093 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1960    6.0003   -6.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097    6.5687   -5.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3909    4.0314   -7.9193 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0706    4.1479   -8.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8809    2.5847   -7.9354 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3063    1.9936   -9.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4584    1.8123   -6.7175 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2172    0.5729   -6.6635 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670   -0.6915   -6.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3484   -1.9701   -6.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -0.8455   -6.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3613    0.4063   -3.1114 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4109   -0.5590   -3.3728 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935    0.2469   -1.6696 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7101    1.2886   -1.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882   -1.1299    1.9374 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8708   -0.5309    1.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096   -1.2552    3.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -1.4932    4.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6008    1.8756    4.0447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.5726    4.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451    1.4171    5.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8846    1.4367    3.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002    1.4059    4.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572    1.1888    3.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6396    1.2457    4.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8273    0.9297    3.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7670   -0.5118    2.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -0.9218    1.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8236   -2.3921    1.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8893   -3.2683    2.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8307   -4.7269    2.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6150   -5.2356    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6311   -6.7447    1.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7961   -7.2184    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6915   -8.7384    0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7498   -9.2771    2.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9244   -4.8179   -4.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3569   -4.1386   -4.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327   -3.4592   -5.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3961   -1.8713   -3.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081   -2.9475   -2.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -3.2292   -2.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8589   -4.1889   -1.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -2.2399   -0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227   -2.4886   -0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325   -0.7834   -1.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590   -0.4742   -2.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5057    0.1967    0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.0610    0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194    1.7805   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    1.5438   -1.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3099    2.6767    0.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4996    2.4460    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    4.1409   -1.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0191    3.8413   -1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169    6.1405   -0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9323    5.1500    0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    4.9565    0.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523    4.1905    2.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505    7.2328    1.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0504    6.3645    2.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341    6.5346    3.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7903    7.3752    4.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    5.1027    4.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768    4.7886    4.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761    3.3475    6.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    3.8843    7.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391    1.2550    5.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    3.0324    3.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9212    0.0433    5.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5157    3.7243   -7.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9873    2.5898   -8.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3804    2.3662   -9.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3913    1.5248   -6.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7451   -1.3013   -3.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1053   -2.1267    1.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1541   -1.0542    2.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819   -2.1235    3.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -2.2914    4.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    2.0029    3.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9339    2.2725    2.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1809    0.6729    5.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3817    2.3950    4.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8739   -0.6808    2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7204   -2.5924    0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9330   -2.5363    0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8728   -3.0508    3.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1049   -3.0367    3.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7763   -5.0616    2.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8495   -5.2480    3.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5860   -4.7841    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6753   -5.0001    2.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6165   -7.1924    2.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7054   -7.0287    1.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6474   -6.7716   -0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7464   -6.9515    1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5485   -9.0811    0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7101   -8.9892    0.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7535   -9.1828    2.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4412   -8.6881    2.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0662  -10.3441    2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for HMDB0004890 (Ganglioside GA2 (d18:1/16:0))

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      14.563  -8.971   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.563 -10.511   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      13.229  -8.201   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      13.229 -11.281   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.895  -8.971   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.895 -10.511   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.017 -12.379   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.017 -13.919   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.683 -11.609   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       7.683 -14.689   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.349 -12.379   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.349 -13.919   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.639 -16.018   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       5.016 -14.689   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.016 -11.609   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.682 -12.379   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      10.350 -14.689   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      10.350 -11.609   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      13.229 -12.450   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      15.437  -8.405   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      10.984  -8.164   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.648  -8.795   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      15.548 -11.003   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      16.762  -9.191   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      18.104  -8.436   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.429  -9.222   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.772  -8.468   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      22.096  -9.253   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      23.439  -8.499   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      24.763  -9.285   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      26.106  -8.530   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      27.430  -9.316   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      28.773  -8.562   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      30.097  -9.347   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      19.411 -10.762   0.000  0.00  0.00           O+0
HETATM   36  N   UNK     0      18.122  -6.897   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      19.465  -6.142   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      19.483  -4.602   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      20.790  -6.928   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      22.132  -6.174   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      23.457  -6.959   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      24.799  -6.205   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      26.124  -6.991   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      27.467  -6.236   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      28.791  -7.022   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       3.682 -15.459   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       3.682 -16.999   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       2.348 -14.689   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       2.348 -17.769   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       1.015 -15.459   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       1.015 -16.999   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       2.304 -19.098   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -0.319 -17.769   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -0.319 -14.689   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -1.653 -15.459   0.000  0.00  0.00           O+0
HETATM   56  N   UNK     0       5.016 -17.769   0.000  0.00  0.00           N+0
HETATM   57  C   UNK     0      31.440  -8.593   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      32.764  -9.379   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      34.107  -8.624   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      35.432  -9.410   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      36.774  -8.656   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      38.099  -9.441   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      30.134  -6.268   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      31.458  -7.053   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      32.801  -6.299   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      34.125  -7.085   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0       5.016 -19.309   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0       6.349 -20.079   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0       3.682 -20.079   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      39.442  -8.687   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      35.468  -6.330   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      36.793  -7.116   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      38.135  -6.361   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      39.460  -7.147   0.000  0.00  0.00           C+0
CONECT    1    2    3   20                                                  
CONECT    2    1    4   23                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6   19                                                  
CONECT    5    3    6   21                                                  
CONECT    6    4    5   18                                                  
CONECT    7    8    9   18                                                  
CONECT    8    7   10   17                                                  
CONECT    9    7   11                                                       
CONECT   10    8   12   13                                                  
CONECT   11    9   12   15                                                  
CONECT   12   10   11   14                                                  
CONECT   13   10                                                            
CONECT   14   12   46                                                       
CONECT   15   11   16                                                       
CONECT   16   15                                                            
CONECT   17    8                                                            
CONECT   18    7    6                                                       
CONECT   19    4                                                            
CONECT   20    1   24                                                       
CONECT   21    5   22                                                       
CONECT   22   21                                                            
CONECT   23    2                                                            
CONECT   24   20   25                                                       
CONECT   25   24   26   36                                                  
CONECT   26   25   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   57                                                       
CONECT   35   26                                                            
CONECT   36   25   37                                                       
CONECT   37   38   36   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   63                                                       
CONECT   46   47   48   14                                                  
CONECT   47   46   49   56                                                  
CONECT   48   46   50                                                       
CONECT   49   47   51   52                                                  
CONECT   50   48   51   54                                                  
CONECT   51   49   50   53                                                  
CONECT   52   49                                                            
CONECT   53   51                                                            
CONECT   54   50   55                                                       
CONECT   55   54                                                            
CONECT   56   47   67                                                       
CONECT   57   34   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61   70                                                       
CONECT   63   45   64                                                       
CONECT   64   63   65                                                       
CONECT   65   64   66                                                       
CONECT   66   65   71                                                       
CONECT   67   68   69   56                                                  
CONECT   68   67                                                            
CONECT   69   67                                                            
CONECT   70   62                                                            
CONECT   71   66   72                                                       
CONECT   72   71   73                                                       
CONECT   73   72   74                                                       
CONECT   74   73                                                            
MASTER        0    0    0    0    0    0    0    0   74    0  152    0
END
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3D PDB for HMDB0004890 (Ganglioside GA2 (d18:1/16:0))

COMPND    HMDB0004890
HETATM    1  C1  UNL     1      -2.401  -3.872  -4.438  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.555  -2.866  -3.320  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.596  -3.181  -2.201  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.729  -2.206  -1.046  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.449  -0.793  -1.496  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.521   0.211  -0.367  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.234   1.570  -0.935  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.284   2.661   0.120  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.965   3.983  -0.538  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.967   5.162   0.355  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.097   5.074   1.474  1.00  0.00           C  
HETATM   12  C12 UNL     1       0.020   6.303   2.316  1.00  0.00           C  
HETATM   13  C13 UNL     1       0.976   6.424   3.449  1.00  0.00           C  
HETATM   14  C14 UNL     1       0.813   5.299   4.396  1.00  0.00           C  
HETATM   15  C15 UNL     1       1.846   4.492   4.685  1.00  0.00           C  
HETATM   16  C16 UNL     1       1.687   3.376   5.623  1.00  0.00           C  
HETATM   17  O1  UNL     1       0.576   3.485   6.425  1.00  0.00           O  
HETATM   18  C17 UNL     1       1.753   2.013   4.880  1.00  0.00           C  
HETATM   19  C18 UNL     1       3.027   2.062   4.149  1.00  0.00           C  
HETATM   20  O2  UNL     1       3.453   1.079   3.358  1.00  0.00           O  
HETATM   21  C19 UNL     1       3.939  -0.036   3.976  1.00  0.00           C  
HETATM   22  O3  UNL     1       5.278  -0.115   3.537  1.00  0.00           O  
HETATM   23  C20 UNL     1       5.455  -0.705   2.304  1.00  0.00           C  
HETATM   24  C21 UNL     1       6.732  -0.126   1.696  1.00  0.00           C  
HETATM   25  O4  UNL     1       7.769  -0.415   2.591  1.00  0.00           O  
HETATM   26  C22 UNL     1       4.280  -0.350   1.415  1.00  0.00           C  
HETATM   27  O5  UNL     1       4.476  -0.761   0.074  1.00  0.00           O  
HETATM   28  C23 UNL     1       4.654   0.340  -0.736  1.00  0.00           C  
HETATM   29  O6  UNL     1       3.482   0.688  -1.457  1.00  0.00           O  
HETATM   30  C24 UNL     1       3.817   1.945  -2.020  1.00  0.00           C  
HETATM   31  C25 UNL     1       2.639   2.834  -2.167  1.00  0.00           C  
HETATM   32  O7  UNL     1       3.065   4.042  -2.709  1.00  0.00           O  
HETATM   33  C26 UNL     1       4.614   1.766  -3.262  1.00  0.00           C  
HETATM   34  O8  UNL     1       3.953   1.823  -4.447  1.00  0.00           O  
HETATM   35  C27 UNL     1       4.521   2.596  -5.438  1.00  0.00           C  
HETATM   36  O9  UNL     1       3.764   3.779  -5.669  1.00  0.00           O  
HETATM   37  C28 UNL     1       4.578   4.540  -6.509  1.00  0.00           C  
HETATM   38  C29 UNL     1       4.196   6.000  -6.466  1.00  0.00           C  
HETATM   39  O10 UNL     1       4.310   6.569  -5.220  1.00  0.00           O  
HETATM   40  C30 UNL     1       4.391   4.031  -7.919  1.00  0.00           C  
HETATM   41  O11 UNL     1       3.071   4.148  -8.309  1.00  0.00           O  
HETATM   42  C31 UNL     1       4.881   2.585  -7.935  1.00  0.00           C  
HETATM   43  O12 UNL     1       4.306   1.994  -9.051  1.00  0.00           O  
HETATM   44  C32 UNL     1       4.458   1.812  -6.717  1.00  0.00           C  
HETATM   45  N1  UNL     1       5.217   0.573  -6.663  1.00  0.00           N  
HETATM   46  C33 UNL     1       4.567  -0.692  -6.757  1.00  0.00           C  
HETATM   47  C34 UNL     1       5.348  -1.970  -6.694  1.00  0.00           C  
HETATM   48  O13 UNL     1       3.329  -0.845  -6.893  1.00  0.00           O  
HETATM   49  C35 UNL     1       5.361   0.406  -3.111  1.00  0.00           C  
HETATM   50  O14 UNL     1       4.411  -0.559  -3.373  1.00  0.00           O  
HETATM   51  C36 UNL     1       5.794   0.247  -1.670  1.00  0.00           C  
HETATM   52  O15 UNL     1       6.710   1.289  -1.392  1.00  0.00           O  
HETATM   53  C37 UNL     1       3.088  -1.130   1.937  1.00  0.00           C  
HETATM   54  O16 UNL     1       1.871  -0.531   1.683  1.00  0.00           O  
HETATM   55  C38 UNL     1       3.210  -1.255   3.440  1.00  0.00           C  
HETATM   56  O17 UNL     1       2.008  -1.493   4.024  1.00  0.00           O  
HETATM   57  N2  UNL     1       0.601   1.876   4.045  1.00  0.00           N  
HETATM   58  C39 UNL     1      -0.712   1.573   4.499  1.00  0.00           C  
HETATM   59  O18 UNL     1      -0.845   1.417   5.735  1.00  0.00           O  
HETATM   60  C40 UNL     1      -1.885   1.437   3.630  1.00  0.00           C  
HETATM   61  C41 UNL     1      -3.200   1.406   4.407  1.00  0.00           C  
HETATM   62  C42 UNL     1      -4.357   1.189   3.442  1.00  0.00           C  
HETATM   63  C43 UNL     1      -5.640   1.246   4.215  1.00  0.00           C  
HETATM   64  C44 UNL     1      -6.827   0.930   3.338  1.00  0.00           C  
HETATM   65  C45 UNL     1      -6.767  -0.512   2.882  1.00  0.00           C  
HETATM   66  C46 UNL     1      -7.906  -0.922   1.980  1.00  0.00           C  
HETATM   67  C47 UNL     1      -7.824  -2.392   1.595  1.00  0.00           C  
HETATM   68  C48 UNL     1      -7.889  -3.268   2.802  1.00  0.00           C  
HETATM   69  C49 UNL     1      -7.831  -4.727   2.539  1.00  0.00           C  
HETATM   70  C50 UNL     1      -6.615  -5.236   1.848  1.00  0.00           C  
HETATM   71  C51 UNL     1      -6.631  -6.745   1.663  1.00  0.00           C  
HETATM   72  C52 UNL     1      -7.796  -7.218   0.821  1.00  0.00           C  
HETATM   73  C53 UNL     1      -7.692  -8.738   0.717  1.00  0.00           C  
HETATM   74  C54 UNL     1      -7.750  -9.277   2.128  1.00  0.00           C  
HETATM   75  H1  UNL     1      -1.924  -4.818  -4.107  1.00  0.00           H  
HETATM   76  H2  UNL     1      -3.357  -4.139  -4.929  1.00  0.00           H  
HETATM   77  H3  UNL     1      -1.733  -3.459  -5.253  1.00  0.00           H  
HETATM   78  H4  UNL     1      -2.396  -1.871  -3.766  1.00  0.00           H  
HETATM   79  H5  UNL     1      -3.608  -2.948  -2.950  1.00  0.00           H  
HETATM   80  H6  UNL     1      -0.576  -3.229  -2.602  1.00  0.00           H  
HETATM   81  H7  UNL     1      -1.859  -4.189  -1.821  1.00  0.00           H  
HETATM   82  H8  UNL     1      -2.804  -2.240  -0.737  1.00  0.00           H  
HETATM   83  H9  UNL     1      -1.023  -2.489  -0.249  1.00  0.00           H  
HETATM   84  H10 UNL     1      -0.433  -0.783  -1.961  1.00  0.00           H  
HETATM   85  H11 UNL     1      -2.159  -0.474  -2.298  1.00  0.00           H  
HETATM   86  H12 UNL     1      -2.506   0.197   0.104  1.00  0.00           H  
HETATM   87  H13 UNL     1      -0.788  -0.061   0.431  1.00  0.00           H  
HETATM   88  H14 UNL     1      -2.019   1.781  -1.682  1.00  0.00           H  
HETATM   89  H15 UNL     1      -0.268   1.544  -1.448  1.00  0.00           H  
HETATM   90  H16 UNL     1      -2.310   2.677   0.578  1.00  0.00           H  
HETATM   91  H17 UNL     1      -0.500   2.446   0.864  1.00  0.00           H  
HETATM   92  H18 UNL     1      -1.784   4.141  -1.292  1.00  0.00           H  
HETATM   93  H19 UNL     1      -0.019   3.841  -1.110  1.00  0.00           H  
HETATM   94  H20 UNL     1      -0.917   6.140  -0.150  1.00  0.00           H  
HETATM   95  H21 UNL     1      -1.932   5.150   0.910  1.00  0.00           H  
HETATM   96  H22 UNL     1       1.062   4.956   0.952  1.00  0.00           H  
HETATM   97  H23 UNL     1      -0.152   4.191   2.051  1.00  0.00           H  
HETATM   98  H24 UNL     1       0.151   7.233   1.694  1.00  0.00           H  
HETATM   99  H25 UNL     1      -1.050   6.365   2.691  1.00  0.00           H  
HETATM  100  H26 UNL     1       2.034   6.535   3.109  1.00  0.00           H  
HETATM  101  H27 UNL     1       0.790   7.375   4.041  1.00  0.00           H  
HETATM  102  H28 UNL     1      -0.119   5.103   4.869  1.00  0.00           H  
HETATM  103  H29 UNL     1       2.777   4.789   4.179  1.00  0.00           H  
HETATM  104  H30 UNL     1       2.576   3.347   6.287  1.00  0.00           H  
HETATM  105  H31 UNL     1       0.817   3.884   7.273  1.00  0.00           H  
HETATM  106  H32 UNL     1       1.739   1.255   5.670  1.00  0.00           H  
HETATM  107  H33 UNL     1       3.271   3.032   3.641  1.00  0.00           H  
HETATM  108  H34 UNL     1       3.835   2.082   5.015  1.00  0.00           H  
HETATM  109  H35 UNL     1       3.921   0.043   5.041  1.00  0.00           H  
HETATM  110  H36 UNL     1       5.514  -1.797   2.375  1.00  0.00           H  
HETATM  111  H37 UNL     1       6.566   0.946   1.539  1.00  0.00           H  
HETATM  112  H38 UNL     1       6.963  -0.694   0.772  1.00  0.00           H  
HETATM  113  H39 UNL     1       8.317  -1.166   2.317  1.00  0.00           H  
HETATM  114  H40 UNL     1       4.213   0.741   1.433  1.00  0.00           H  
HETATM  115  H41 UNL     1       4.761   1.251  -0.073  1.00  0.00           H  
HETATM  116  H42 UNL     1       4.492   2.434  -1.253  1.00  0.00           H  
HETATM  117  H43 UNL     1       2.261   3.120  -1.141  1.00  0.00           H  
HETATM  118  H44 UNL     1       1.831   2.476  -2.818  1.00  0.00           H  
HETATM  119  H45 UNL     1       3.623   4.587  -2.132  1.00  0.00           H  
HETATM  120  H46 UNL     1       5.460   2.487  -3.272  1.00  0.00           H  
HETATM  121  H47 UNL     1       5.519   2.992  -5.195  1.00  0.00           H  
HETATM  122  H48 UNL     1       5.651   4.385  -6.256  1.00  0.00           H  
HETATM  123  H49 UNL     1       4.896   6.540  -7.150  1.00  0.00           H  
HETATM  124  H50 UNL     1       3.181   6.075  -6.924  1.00  0.00           H  
HETATM  125  H51 UNL     1       5.182   6.962  -5.034  1.00  0.00           H  
HETATM  126  H52 UNL     1       5.076   4.605  -8.553  1.00  0.00           H  
HETATM  127  H53 UNL     1       2.516   3.724  -7.596  1.00  0.00           H  
HETATM  128  H54 UNL     1       5.987   2.590  -8.068  1.00  0.00           H  
HETATM  129  H55 UNL     1       3.380   2.366  -9.145  1.00  0.00           H  
HETATM  130  H56 UNL     1       3.391   1.525  -6.857  1.00  0.00           H  
HETATM  131  H57 UNL     1       6.255   0.574  -6.552  1.00  0.00           H  
HETATM  132  H58 UNL     1       6.388  -1.817  -6.339  1.00  0.00           H  
HETATM  133  H59 UNL     1       4.876  -2.619  -5.905  1.00  0.00           H  
HETATM  134  H60 UNL     1       5.387  -2.499  -7.661  1.00  0.00           H  
HETATM  135  H61 UNL     1       6.191   0.376  -3.797  1.00  0.00           H  
HETATM  136  H62 UNL     1       4.745  -1.301  -3.933  1.00  0.00           H  
HETATM  137  H63 UNL     1       6.346  -0.717  -1.629  1.00  0.00           H  
HETATM  138  H64 UNL     1       7.578   1.016  -1.778  1.00  0.00           H  
HETATM  139  H65 UNL     1       3.105  -2.127   1.473  1.00  0.00           H  
HETATM  140  H66 UNL     1       1.154  -1.054   2.150  1.00  0.00           H  
HETATM  141  H67 UNL     1       3.882  -2.124   3.598  1.00  0.00           H  
HETATM  142  H68 UNL     1       2.004  -2.291   4.634  1.00  0.00           H  
HETATM  143  H69 UNL     1       0.714   2.003   3.019  1.00  0.00           H  
HETATM  144  H70 UNL     1      -1.826   0.489   3.061  1.00  0.00           H  
HETATM  145  H71 UNL     1      -1.934   2.273   2.875  1.00  0.00           H  
HETATM  146  H72 UNL     1      -3.181   0.673   5.210  1.00  0.00           H  
HETATM  147  H73 UNL     1      -3.382   2.395   4.872  1.00  0.00           H  
HETATM  148  H74 UNL     1      -4.244   0.249   2.925  1.00  0.00           H  
HETATM  149  H75 UNL     1      -4.389   2.038   2.722  1.00  0.00           H  
HETATM  150  H76 UNL     1      -5.733   2.244   4.697  1.00  0.00           H  
HETATM  151  H77 UNL     1      -5.566   0.446   5.008  1.00  0.00           H  
HETATM  152  H78 UNL     1      -7.759   1.118   3.942  1.00  0.00           H  
HETATM  153  H79 UNL     1      -6.801   1.645   2.487  1.00  0.00           H  
HETATM  154  H80 UNL     1      -5.794  -0.779   2.482  1.00  0.00           H  
HETATM  155  H81 UNL     1      -6.865  -1.104   3.850  1.00  0.00           H  
HETATM  156  H82 UNL     1      -7.838  -0.356   1.021  1.00  0.00           H  
HETATM  157  H83 UNL     1      -8.874  -0.681   2.429  1.00  0.00           H  
HETATM  158  H84 UNL     1      -8.720  -2.592   0.967  1.00  0.00           H  
HETATM  159  H85 UNL     1      -6.933  -2.536   0.959  1.00  0.00           H  
HETATM  160  H86 UNL     1      -8.873  -3.051   3.303  1.00  0.00           H  
HETATM  161  H87 UNL     1      -7.105  -3.037   3.554  1.00  0.00           H  
HETATM  162  H88 UNL     1      -8.776  -5.062   2.049  1.00  0.00           H  
HETATM  163  H89 UNL     1      -7.850  -5.248   3.550  1.00  0.00           H  
HETATM  164  H90 UNL     1      -6.586  -4.784   0.808  1.00  0.00           H  
HETATM  165  H91 UNL     1      -5.675  -5.000   2.344  1.00  0.00           H  
HETATM  166  H92 UNL     1      -6.616  -7.192   2.673  1.00  0.00           H  
HETATM  167  H93 UNL     1      -5.705  -7.029   1.133  1.00  0.00           H  
HETATM  168  H94 UNL     1      -7.647  -6.772  -0.204  1.00  0.00           H  
HETATM  169  H95 UNL     1      -8.746  -6.952   1.279  1.00  0.00           H  
HETATM  170  H96 UNL     1      -8.549  -9.081   0.092  1.00  0.00           H  
HETATM  171  H97 UNL     1      -6.710  -8.989   0.277  1.00  0.00           H  
HETATM  172  H98 UNL     1      -6.753  -9.183   2.584  1.00  0.00           H  
HETATM  173  H99 UNL     1      -8.441  -8.688   2.782  1.00  0.00           H  
HETATM  174  HA0 UNL     1      -8.066 -10.344   2.091  1.00  0.00           H  
CONECT    1    2   75   76   77
CONECT    2    3   78   79
CONECT    3    4   80   81
CONECT    4    5   82   83
CONECT    5    6   84   85
CONECT    6    7   86   87
CONECT    7    8   88   89
CONECT    8    9   90   91
CONECT    9   10   92   93
CONECT   10   11   94   95
CONECT   11   12   96   97
CONECT   12   13   98   99
CONECT   13   14  100  101
CONECT   14   15   15  102
CONECT   15   16  103
CONECT   16   17   18  104
CONECT   17  105
CONECT   18   19   57  106
CONECT   19   20  107  108
CONECT   20   21
CONECT   21   22   55  109
CONECT   22   23
CONECT   23   24   26  110
CONECT   24   25  111  112
CONECT   25  113
CONECT   26   27   53  114
CONECT   27   28
CONECT   28   29   51  115
CONECT   29   30
CONECT   30   31   33  116
CONECT   31   32  117  118
CONECT   32  119
CONECT   33   34   49  120
CONECT   34   35
CONECT   35   36   44  121
CONECT   36   37
CONECT   37   38   40  122
CONECT   38   39  123  124
CONECT   39  125
CONECT   40   41   42  126
CONECT   41  127
CONECT   42   43   44  128
CONECT   43  129
CONECT   44   45  130
CONECT   45   46  131
CONECT   46   47   48   48
CONECT   47  132  133  134
CONECT   49   50   51  135
CONECT   50  136
CONECT   51   52  137
CONECT   52  138
CONECT   53   54   55  139
CONECT   54  140
CONECT   55   56  141
CONECT   56  142
CONECT   57   58  143
CONECT   58   59   59   60
CONECT   60   61  144  145
CONECT   61   62  146  147
CONECT   62   63  148  149
CONECT   63   64  150  151
CONECT   64   65  152  153
CONECT   65   66  154  155
CONECT   66   67  156  157
CONECT   67   68  158  159
CONECT   68   69  160  161
CONECT   69   70  162  163
CONECT   70   71  164  165
CONECT   71   72  166  167
CONECT   72   73  168  169
CONECT   73   74  170  171
CONECT   74  172  173  174
END
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SMILES for HMDB0004890 (Ganglioside GA2 (d18:1/16:0))

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
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INCHI for HMDB0004890 (Ganglioside GA2 (d18:1/16:0))

InChI=1S/C54H100N2O18/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(61)37(56-42(62)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-69-53-48(67)46(65)51(40(33-58)71-53)74-54-49(68)47(66)50(41(34-59)72-54)73-52-43(55-36(3)60)45(64)44(63)39(32-57)70-52/h28,30,37-41,43-54,57-59,61,63-68H,4-27,29,31-35H2,1-3H3,(H,55,60)(H,56,62)/b30-28+/t37-,38+,39+,40+,41+,43+,44-,45+,46+,47+,48?,49+,50-,51+,52-,53+,54-/m0/s1
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Synonyms
ValueSource
asialo GM2HMDB
BissulfogangliotetraosylceramideHMDB
g(a2) GangliosideHMDB
GA2HMDB
GA2 gangliosideHMDB
GalNAc-beta1->4gal-beta1->4GLC-beta1->1'cerHMDB
ganglio-N-TriaosylceramideHMDB
GangliotriosylceramideHMDB
Glycolipid gHMDB
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexadecanimidateGenerator, HMDB
Chemical FormulaC54H100N2O18
Average Molecular Weight1065.3744
Monoisotopic Molecular Weight1064.697114406
IUPAC NameN-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexadecanamide
Traditional NameN-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexadecanamide
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
InChI Identifier
InChI=1S/C54H100N2O18/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(61)37(56-42(62)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-69-53-48(67)46(65)51(40(33-58)71-53)74-54-49(68)47(66)50(41(34-59)72-54)73-52-43(55-36(3)60)45(64)44(63)39(32-57)70-52/h28,30,37-41,43-54,57-59,61,63-68H,4-27,29,31-35H2,1-3H3,(H,55,60)(H,56,62)/b30-28+/t37-,38+,39+,40+,41+,43+,44-,45+,46+,47+,48?,49+,50-,51+,52-,53+,54-/m0/s1
InChI KeyFYUKXZXCRJNQJV-CITTUYONSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as galnacb1-4galb1-4glc- (ganglio series). These are neutral glycosphingolipids in which the root sequence is GalNAcb1-4Galb1-4Glc.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSphingolipids
Sub ClassGlycosphingolipids
Direct ParentGalNAcb1-4Galb1-4Glc- (Ganglio series)
Alternative Parents
Substituents
  • Galnacb1-4galb1-4glcb-cer_backbone
  • Glycosyl-n-acylsphingosine
  • Oligosaccharide
  • Fatty acyl glycoside
  • N-acyl-alpha-hexosamine
  • Alkyl glycoside
  • Glycosyl compound
  • O-glycosyl compound
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Oxane
  • Acetamide
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Acetal
  • Oxacycle
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0Not Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.024 g/LALOGPS
logP4.65ALOGPS
logP5.26ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)11.7ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count18ChemAxon
Hydrogen Donor Count12ChemAxon
Polar Surface Area315.88 ŲChemAxon
Rotatable Bond Count40ChemAxon
Refractivity274.12 m³·mol⁻¹ChemAxon
Polarizability123.25 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+310.40330932474
DeepCCS[M-H]-308.7530932474
DeepCCS[M-2H]-342.96930932474
DeepCCS[M+Na]+316.5630932474
AllCCS[M+H]+317.832859911
AllCCS[M+H-H2O]+318.132859911
AllCCS[M+NH4]+317.432859911
AllCCS[M+Na]+317.332859911
AllCCS[M-H]-377.932859911
AllCCS[M+Na-2H]-383.432859911
AllCCS[M+HCOO]-389.532859911

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganglioside GA2 (d18:1/16:0) 10V, Positive-QTOFsplash10-0uxr-9252050000-607e08e0e69acfc27f322021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganglioside GA2 (d18:1/16:0) 20V, Positive-QTOFsplash10-00si-4498032010-84600e281651eaedc2952021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganglioside GA2 (d18:1/16:0) 40V, Positive-QTOFsplash10-0ue9-3491010000-455364c84e732d15e38e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganglioside GA2 (d18:1/16:0) 10V, Negative-QTOFsplash10-03di-9000000000-f5d446fa8f25c03ebe0a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganglioside GA2 (d18:1/16:0) 20V, Negative-QTOFsplash10-03di-9337044064-b0961a3dcf318c81d1b02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganglioside GA2 (d18:1/16:0) 40V, Negative-QTOFsplash10-0pvs-4593402001-5f7a6e1673e84893d6002021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue Locations
  • Brain
  • Neuron
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID17216282
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound22833615
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Denny CA, Kasperzyk JL, Gorham KN, Bronson RT, Seyfried TN: Influence of caloric restriction on motor behavior, longevity, and brain lipid composition in Sandhoff disease mice. J Neurosci Res. 2006 May 1;83(6):1028-38. [PubMed:16521125 ]

Enzymes

Enzyme Details
1. Sialidase-2
General function:
Involved in exo-alpha-sialidase activity
Specific function:
Hydrolyzes sialylated compounds.
Gene Name:
NEU2
Uniprot ID:
Q9Y3R4
Molecular weight:
Not Available
Enzyme Details
2. Sialidase-4
General function:
Involved in exo-alpha-sialidase activity
Specific function:
May function in lysosomal catabolism of sialylated glycoconjugates. Has sialidase activity towards synthetic substrates, such as 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid (4-MU-NANA or 4MU-NeuAc). Has a broad substrate specificity being active on glycoproteins, oligosaccharides and sialylated glycolipids.
Gene Name:
NEU4
Uniprot ID:
Q8WWR8
Molecular weight:
Not Available
Enzyme Details
3. Lactase-phlorizin hydrolase
General function:
Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:
LPH splits lactose in the small intestine.
Gene Name:
LCT
Uniprot ID:
P09848
Molecular weight:
218584.77
Enzyme Details
4. Lactosylceramide alpha-2,3-sialyltransferase
General function:
Involved in sialyltransferase activity
Specific function:
Catalyzes the formation of ganglioside GM3 (alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1, 4-beta-D-glucosylceramide).
Gene Name:
ST3GAL5
Uniprot ID:
Q9UNP4
Molecular weight:
45584.69
Enzyme Details
5. Beta-galactosidase
General function:
Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:
Cleaves beta-linked terminal galactosyl residues from gangliosides, glycoproteins, and glycosaminoglycans. Isoform 2 has no beta-galactosidase catalytic activity, but plays functional roles in the formation of extracellular elastic fibers (elastogenesis) and in the development of connective tissue. Seems to be identical to the elastin-binding protein (EBP), a major component of the non-integrin cell surface receptor expressed on fibroblasts, smooth muscle cells, chondroblasts, leukocytes, and certain cancer cell types. In elastin producing cells, associates with tropoelastin intracellularly and functions as a recycling molecular chaperone which facilitates the secretions of tropoelastin and its assembly into elastic fibers.
Gene Name:
GLB1
Uniprot ID:
P16278
Molecular weight:
Not Available
Enzyme Details
6. Beta-hexosaminidase subunit beta
General function:
Involved in beta-N-acetylhexosaminidase activity
Specific function:
Responsible for the degradation of GM2 gangliosides, and a variety of other molecules containing terminal N-acetyl hexosamines, in the brain and other tissues.
Gene Name:
HEXB
Uniprot ID:
P07686
Molecular weight:
Not Available
Enzyme Details
7. Beta-hexosaminidase subunit alpha
General function:
Involved in beta-N-acetylhexosaminidase activity
Specific function:
Responsible for the degradation of GM2 gangliosides, and a variety of other molecules containing terminal N-acetyl hexosamines, in the brain and other tissues. The form B is active against certain oligosaccharides. The form S has no measurable activity.
Gene Name:
HEXA
Uniprot ID:
P06865
Molecular weight:
Not Available
Enzyme Details
8. Beta-1,4 N-acetylgalactosaminyltransferase 1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
Involved in the biosynthesis of gangliosides GM2, GD2 and GA2.
Gene Name:
B4GALNT1
Uniprot ID:
Q00973
Molecular weight:
58881.78
Enzyme Details
9. Ganglioside GM2 activator
General function:
Involved in sphingolipid activator protein activity
Specific function:
Binds gangliosides and stimulates ganglioside GM2 degradation. It stimulates only the breakdown of ganglioside GM2 and glycolipid GA2 by beta-hexosaminidase A. It extracts single GM2 molecules from membranes and presents them in soluble form to beta-hexosaminidase A for cleavage of N-acetyl-D-galactosamine and conversion to GM3
Gene Name:
GM2A
Uniprot ID:
P17900
Molecular weight:
20838.1
Enzyme Details
10. NEU1 protein
General function:
Not Available
Specific function:
Not Available
Gene Name:
NEU1
Uniprot ID:
Q5JQI0
Molecular weight:
45467.0