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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2010-05-20 09:47:11 UTC

Update Date

2022-03-07 02:51:33 UTC

HMDB ID

HMDB0013622

Secondary Accession Numbers

HMDB0062543
HMDB0062658
HMDB13622
HMDB62543
HMDB62658

Metabolite Identification

Common Name

10Z-Nonadecenoic acid

Description

10Z-Nonadecenoic acid is a monounsaturated fatty acid that has a C19 chain as a backbone and a cis double bond at the C10 position. It is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 10Z-Nonadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10Z-Nonadecenoic acid can be found in blood and feces. Within the cell, 10Z-nonadecenoic acid is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.

Structure

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

HMDB0013622
     RDKit          3D
10Z-Nonadecenoic acid
 57 56  0  0  0  0  0  0  0  0999 V2000
    8.1397    0.7260    1.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351   -0.5438    1.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522   -0.9680    0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566    0.1288    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001   -0.1299   -0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822   -1.3501   -0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8014   -1.6321   -1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081   -0.5053   -1.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0066   -0.2255   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -0.3227   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866   -0.7111   -1.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    0.3627   -1.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888    0.6956   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0279    1.7489   -1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0012    2.3146   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0618    1.5659    0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8055    0.4458    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1826   -0.0924    1.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8895   -1.2104    2.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1365   -1.1165    3.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4621   -2.4670    2.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5952    1.5701    1.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    0.7242    1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1619    0.8715    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2369   -1.3286    2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8524   -0.4975    2.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1757   -1.0639   -0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1136   -1.9280    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0207    0.3645    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1274    1.0522    0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1706   -0.2168   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    0.7814   -0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796   -1.3041    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881   -2.2330   -0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102   -1.7860   -2.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363   -2.5547   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    0.4049   -1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871   -0.7633   -2.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5121    0.0849    0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7938   -0.0864    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413   -1.0683   -2.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8060   -1.5800   -1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048    0.0432   -2.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.3080   -2.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4937   -0.2030   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053    1.1520   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3446    2.5998   -1.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002    1.4453   -2.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5206    3.2011   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046    2.8986    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8205    1.1900   -0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7223    2.3445    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2413   -0.4080    0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3119    0.8222    2.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6426    0.7215    2.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8088   -0.4233    0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4257   -2.8488    1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 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
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 21 57  1  0
M  END

LMFA01030362
  Mrv1652303312018252D          

 21 20  0  0  0  0            999 V2000
   17.7983    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5085    5.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7983    6.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0828    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3670    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6512    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9355    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2196    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5038    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7881    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0723    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3564    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6407    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9249    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2091    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7775    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0617    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3459    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6302    5.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0013622

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCC\C=C/CCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-

> <INCHI_KEY>
BBOWBNGUEWHNQZ-KTKRTIGZSA-N

> <FORMULA>
C19H36O2

> <MOLECULAR_WEIGHT>
296.4879

> <EXACT_MASS>
296.271530396

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
39.195819156493464

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10Z)-nonadec-10-enoic acid

> <ALOGPS_LOGP>
8.06

> <JCHEM_LOGP>
7.228367115999999

> <ALOGPS_LOGS>
-6.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.021116877046745

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
92.00319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.57e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(10Z)-nonadec-10-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0013622
     RDKit          3D
10Z-Nonadecenoic acid
 57 56  0  0  0  0  0  0  0  0999 V2000
    8.1397    0.7260    1.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351   -0.5438    1.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522   -0.9680    0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566    0.1288    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001   -0.1299   -0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822   -1.3501   -0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8014   -1.6321   -1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081   -0.5053   -1.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0066   -0.2255   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -0.3227   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866   -0.7111   -1.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    0.3627   -1.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888    0.6956   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0279    1.7489   -1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0012    2.3146   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0618    1.5659    0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8055    0.4458    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1826   -0.0924    1.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8895   -1.2104    2.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1365   -1.1165    3.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4621   -2.4670    2.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5952    1.5701    1.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    0.7242    1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1619    0.8715    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2369   -1.3286    2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8524   -0.4975    2.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1757   -1.0639   -0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1136   -1.9280    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0207    0.3645    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1274    1.0522    0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1706   -0.2168   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    0.7814   -0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796   -1.3041    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881   -2.2330   -0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102   -1.7860   -2.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363   -2.5547   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    0.4049   -1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871   -0.7633   -2.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5121    0.0849    0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7938   -0.0864    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413   -1.0683   -2.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8060   -1.5800   -1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048    0.0432   -2.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.3080   -2.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4937   -0.2030   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053    1.1520   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3446    2.5998   -1.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002    1.4453   -2.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5206    3.2011   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046    2.8986    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8205    1.1900   -0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7223    2.3445    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2413   -0.4080    0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3119    0.8222    2.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6426    0.7215    2.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8088   -0.4233    0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4257   -2.8488    1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 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
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 21 57  1  0
M  END

HEADER    PROTEIN                                 31-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: LMFA01030362                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   31-MAR-20         0                                  
HETATM    1  C   UNK     0      33.223  10.393   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      34.549   9.628   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      33.223  11.619   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      31.888   9.628   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      30.552  10.393   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      29.216   9.628   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      27.880  10.393   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      26.543   9.628   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      25.207  10.393   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      23.871   9.628   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      22.535  10.393   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.199   9.628   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      19.863   9.628   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.526  10.393   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.190   9.628   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      15.854  10.393   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.518   9.628   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.182  10.393   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.846   9.628   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.510  10.393   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.173   9.628   0.000  0.00  0.00           C+0
CONECT    1    2    3    4                                                  
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4    1    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0013622
HETATM    1  C1  UNL     1       8.140   0.726   1.519  1.00  0.00           C  
HETATM    2  C2  UNL     1       7.435  -0.544   1.869  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.552  -0.968   0.707  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.557   0.129   0.458  1.00  0.00           C  
HETATM    5  C5  UNL     1       4.600  -0.130  -0.660  1.00  0.00           C  
HETATM    6  C6  UNL     1       3.782  -1.350  -0.417  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.801  -1.632  -1.525  1.00  0.00           C  
HETATM    8  C8  UNL     1       1.808  -0.505  -1.731  1.00  0.00           C  
HETATM    9  C9  UNL     1       1.007  -0.225  -0.546  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.304  -0.323  -0.524  1.00  0.00           C  
HETATM   11  C11 UNL     1      -1.187  -0.711  -1.625  1.00  0.00           C  
HETATM   12  C12 UNL     1      -2.189   0.363  -1.988  1.00  0.00           C  
HETATM   13  C13 UNL     1      -3.089   0.696  -0.790  1.00  0.00           C  
HETATM   14  C14 UNL     1      -4.028   1.749  -1.266  1.00  0.00           C  
HETATM   15  C15 UNL     1      -5.001   2.315  -0.335  1.00  0.00           C  
HETATM   16  C16 UNL     1      -6.062   1.566   0.310  1.00  0.00           C  
HETATM   17  C17 UNL     1      -5.805   0.446   1.235  1.00  0.00           C  
HETATM   18  C18 UNL     1      -7.183  -0.092   1.741  1.00  0.00           C  
HETATM   19  C19 UNL     1      -6.890  -1.210   2.657  1.00  0.00           C  
HETATM   20  O1  UNL     1      -6.137  -1.116   3.669  1.00  0.00           O  
HETATM   21  O2  UNL     1      -7.462  -2.467   2.419  1.00  0.00           O  
HETATM   22  H1  UNL     1       7.595   1.570   1.992  1.00  0.00           H  
HETATM   23  H2  UNL     1       9.203   0.724   1.859  1.00  0.00           H  
HETATM   24  H3  UNL     1       8.162   0.871   0.417  1.00  0.00           H  
HETATM   25  H4  UNL     1       8.237  -1.329   2.015  1.00  0.00           H  
HETATM   26  H5  UNL     1       6.852  -0.497   2.794  1.00  0.00           H  
HETATM   27  H6  UNL     1       7.176  -1.064  -0.218  1.00  0.00           H  
HETATM   28  H7  UNL     1       6.114  -1.928   0.967  1.00  0.00           H  
HETATM   29  H8  UNL     1       5.021   0.365   1.409  1.00  0.00           H  
HETATM   30  H9  UNL     1       6.127   1.052   0.199  1.00  0.00           H  
HETATM   31  H10 UNL     1       5.171  -0.217  -1.599  1.00  0.00           H  
HETATM   32  H11 UNL     1       3.963   0.781  -0.750  1.00  0.00           H  
HETATM   33  H12 UNL     1       3.280  -1.304   0.572  1.00  0.00           H  
HETATM   34  H13 UNL     1       4.488  -2.233  -0.421  1.00  0.00           H  
HETATM   35  H14 UNL     1       3.410  -1.786  -2.451  1.00  0.00           H  
HETATM   36  H15 UNL     1       2.236  -2.555  -1.234  1.00  0.00           H  
HETATM   37  H16 UNL     1       2.395   0.405  -1.988  1.00  0.00           H  
HETATM   38  H17 UNL     1       1.187  -0.763  -2.599  1.00  0.00           H  
HETATM   39  H18 UNL     1       1.512   0.085   0.386  1.00  0.00           H  
HETATM   40  H19 UNL     1      -0.794  -0.086   0.426  1.00  0.00           H  
HETATM   41  H20 UNL     1      -0.741  -1.068  -2.541  1.00  0.00           H  
HETATM   42  H21 UNL     1      -1.806  -1.580  -1.231  1.00  0.00           H  
HETATM   43  H22 UNL     1      -2.805   0.043  -2.842  1.00  0.00           H  
HETATM   44  H23 UNL     1      -1.687   1.308  -2.265  1.00  0.00           H  
HETATM   45  H24 UNL     1      -3.494  -0.203  -0.356  1.00  0.00           H  
HETATM   46  H25 UNL     1      -2.405   1.152  -0.026  1.00  0.00           H  
HETATM   47  H26 UNL     1      -3.345   2.600  -1.620  1.00  0.00           H  
HETATM   48  H27 UNL     1      -4.500   1.445  -2.260  1.00  0.00           H  
HETATM   49  H28 UNL     1      -5.521   3.201  -0.870  1.00  0.00           H  
HETATM   50  H29 UNL     1      -4.405   2.899   0.461  1.00  0.00           H  
HETATM   51  H30 UNL     1      -6.821   1.190  -0.470  1.00  0.00           H  
HETATM   52  H31 UNL     1      -6.722   2.344   0.847  1.00  0.00           H  
HETATM   53  H32 UNL     1      -5.241  -0.408   0.879  1.00  0.00           H  
HETATM   54  H33 UNL     1      -5.312   0.822   2.165  1.00  0.00           H  
HETATM   55  H34 UNL     1      -7.643   0.721   2.301  1.00  0.00           H  
HETATM   56  H35 UNL     1      -7.809  -0.423   0.917  1.00  0.00           H  
HETATM   57  H36 UNL     1      -7.426  -2.849   1.484  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3   25   26
CONECT    3    4   27   28
CONECT    4    5   29   30
CONECT    5    6   31   32
CONECT    6    7   33   34
CONECT    7    8   35   36
CONECT    8    9   37   38
CONECT    9   10   10   39
CONECT   10   11   40
CONECT   11   12   41   42
CONECT   12   13   43   44
CONECT   13   14   45   46
CONECT   14   15   47   48
CONECT   15   16   49   50
CONECT   16   17   51   52
CONECT   17   18   53   54
CONECT   18   19   55   56
CONECT   19   20   20   21
CONECT   21   57
END

HMDB0013622
     RDKit          3D
10Z-Nonadecenoic acid
 57 56  0  0  0  0  0  0  0  0999 V2000
    8.1397    0.7260    1.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351   -0.5438    1.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522   -0.9680    0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566    0.1288    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001   -0.1299   -0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822   -1.3501   -0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8014   -1.6321   -1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081   -0.5053   -1.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0066   -0.2255   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -0.3227   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866   -0.7111   -1.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    0.3627   -1.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888    0.6956   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0279    1.7489   -1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0012    2.3146   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0618    1.5659    0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8055    0.4458    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1826   -0.0924    1.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8895   -1.2104    2.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1365   -1.1165    3.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4621   -2.4670    2.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5952    1.5701    1.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    0.7242    1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1619    0.8715    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2369   -1.3286    2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8524   -0.4975    2.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1757   -1.0639   -0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1136   -1.9280    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0207    0.3645    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1274    1.0522    0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1706   -0.2168   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    0.7814   -0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796   -1.3041    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881   -2.2330   -0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102   -1.7860   -2.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363   -2.5547   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    0.4049   -1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871   -0.7633   -2.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5121    0.0849    0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7938   -0.0864    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413   -1.0683   -2.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8060   -1.5800   -1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048    0.0432   -2.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.3080   -2.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4937   -0.2030   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053    1.1520   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3446    2.5998   -1.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002    1.4453   -2.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5206    3.2011   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046    2.8986    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8205    1.1900   -0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7223    2.3445    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2413   -0.4080    0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3119    0.8222    2.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6426    0.7215    2.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8088   -0.4233    0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4257   -2.8488    1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 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
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 21 57  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
10Z-Nonadecenoate	Generator
10(Z)-Nonadecenoate	HMDB
10(Z)-Nonadecenoic acid	HMDB
(10Z)-10-Nonadecenoic acid	HMDB
(Z)-10-Nonadecenoic acid	HMDB
cis-10-Nonadecenoic acid	HMDB
Nonadeca-10(Z)-enoic acid	HMDB
10-Nonadecenoic acid (19:1n9)	HMDB
10-Nonadecenoate (19:1n9)	HMDB
FA(19:1(10Z))	HMDB
10-Nonadecenoic acid	HMDB
10-Nonadecenoate	HMDB
Nonadeca-10(Z)-enoate	Generator

Chemical Formula

C₁₉H₃₆O₂

Average Molecular Weight

296.4879

Monoisotopic Molecular Weight

296.271530396

IUPAC Name

(10Z)-nonadec-10-enoic acid

Traditional Name

(10Z)-nonadec-10-enoic acid

CAS Registry Number

73033-09-7

SMILES

CCCCCCCC\C=C/CCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-

InChI Key

BBOWBNGUEWHNQZ-KTKRTIGZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Unsaturated fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

10-nonadecenoic acid (CHEBI:83051 )
Unsaturated fatty acids (LMFA01030362 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21359215)

Cellular substructure

Organelle

Adiposome (HMDB: HMDB0013622)

Organ

Placenta (HMDB: HMDB0013622)

Excreta

Biofluid or Excreta

Feces (PMID: 22411374)
Urine (HMDB: HMDB0013622)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0013622)

Source

Endogenous

Endogenous (HMDB: HMDB0013622)

Animal

Animal (HMDB: HMDB0013622)

Exogenous

Food

Food (HMDB: HMDB0013622)

Exogenous (HMDB: HMDB0013622)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0013622)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0013622)

Lipid metabolism pathway (HMDB: HMDB0013622)

Cellular process

Cell signaling (HMDB: HMDB0013622)

Biochemical process

Lipid transport (HMDB: HMDB0013622)

Role

Biological role

Energy source (HMDB: HMDB0013622)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0013622)

Physical Properties

State

Solid

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	7.6e-05 g/L	ALOGPS
logP	8.06	ALOGPS
logP	7.23	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	5.02	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	92 m³·mol⁻¹	ChemAxon
Polarizability	39.2 Å³	ChemAxon
Number of Rings	0	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]+	180.715	31661259
DarkChem	[M-H]-	180.649	31661259
DeepCCS	[M+H]+	184.727	30932474
DeepCCS	[M-H]-	180.708	30932474
DeepCCS	[M-2H]-	217.47	30932474
DeepCCS	[M+Na]+	193.549	30932474
AllCCS	[M+H]+	184.3	32859911
AllCCS	[M+H-H2O]+	181.5	32859911
AllCCS	[M+NH4]+	187.0	32859911
AllCCS	[M+Na]+	187.8	32859911
AllCCS	[M-H]-	183.2	32859911
AllCCS	[M+Na-2H]-	184.9	32859911
AllCCS	[M+HCOO]-	187.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
10Z-Nonadecenoic acid	CCCCCCCC\C=C/CCCCCCCCC(O)=O	3251.6	Standard polar	33892256
10Z-Nonadecenoic acid	CCCCCCCC\C=C/CCCCCCCCC(O)=O	2189.4	Standard non polar	33892256
10Z-Nonadecenoic acid	CCCCCCCC\C=C/CCCCCCCCC(O)=O	2248.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
10Z-Nonadecenoic acid,1TMS,isomer #1	CCCCCCCC/C=C\CCCCCCCCC(=O)O[Si](C)(C)C	2316.8	Semi standard non polar	33892256
10Z-Nonadecenoic acid,1TBDMS,isomer #1	CCCCCCCC/C=C\CCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C	2582.0	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 - 10Z-Nonadecenoic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f6x-9540000000-1eb933452e99246ec90e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 10Z-Nonadecenoic acid GC-MS (1 TMS) - 70eV, Positive	splash10-0uk9-9551000000-c1badd35ef765a8f70d6	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 10Z-Nonadecenoic acid 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - 10Z-Nonadecenoic acid LC-ESI-IT , negative-QTOF	splash10-0002-0090000000-2967752d5d1d14615cc1	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 10V, Positive-QTOF	splash10-002b-0090000000-8cbfa0bf13b0b55d94b0	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 20V, Positive-QTOF	splash10-0ug1-3590000000-a754ed1c1b5d25a0e297	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 40V, Positive-QTOF	splash10-000f-9840000000-4822205f2b7bae6724c0	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 10V, Negative-QTOF	splash10-0002-0090000000-cfa5c2e05e2814d485d4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 20V, Negative-QTOF	splash10-0f6t-1090000000-d5cb943ae3d65bb14a7a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 40V, Negative-QTOF	splash10-0a4l-9240000000-e9599a8c1e5f1ae2f9ba	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 10V, Positive-QTOF	splash10-002b-2190000000-64aeb7b6c2b3d2d6b090	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 20V, Positive-QTOF	splash10-0a6s-9650000000-8a9166404c0b82d9f5a6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 40V, Positive-QTOF	splash10-0a4l-9000000000-ac3ab5fc8abdd23adfab	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 10V, Negative-QTOF	splash10-0002-0090000000-e99ebb24cd572d390238	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 20V, Negative-QTOF	splash10-002b-1090000000-f28d1258598b5e893dde	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10Z-Nonadecenoic acid 40V, Negative-QTOF	splash10-0006-9120000000-526daf3f27ff45558250	2021-09-23	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Blood
Feces

Tissue Locations

Placenta

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.646 +/- 0.37 uM	Adult (>18 years old)	Both	Normal	21359215	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Female	Normal	27355821	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Both	Normal	22411374	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Newborn (0-30 days old)	Not Specified	Premature neonates	23210743	details

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

FDB029599

KNApSAcK ID

Not Available

Chemspider ID

4471938

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5312513

PDB ID

Not Available

ChEBI ID

83051

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for 10Z-Nonadecenoic acid (HMDB0013622)

MOL for HMDB0013622 (10Z-Nonadecenoic acid)

3D MOL for HMDB0013622 (10Z-Nonadecenoic acid)

3D SDF for HMDB0013622 (10Z-Nonadecenoic acid)

3D-SDF for HMDB0013622 (10Z-Nonadecenoic acid)

PDB for HMDB0013622 (10Z-Nonadecenoic acid)

3D PDB for HMDB0013622 (10Z-Nonadecenoic acid)

SMILES for HMDB0013622 (10Z-Nonadecenoic acid)

INCHI for HMDB0013622 (10Z-Nonadecenoic acid)

Structure for HMDB0013622 (10Z-Nonadecenoic acid)

3D Structure for HMDB0013622 (10Z-Nonadecenoic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra