Marvin  02251316252D          

 20 19  0  0  0  0            999 V2000
   12.7719   -9.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6201  -10.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9867   -9.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8348  -10.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9867   -8.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6829   -9.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5310  -10.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3793   -9.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2274  -10.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0755   -9.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9236  -10.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1384  -10.1487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6200  -11.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7717  -12.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9236  -11.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0755  -12.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2273  -11.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3791  -12.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5310  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6829  -12.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  1  2  2  0  0  0  0
 13  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 12  1  0  0  0  0
  4  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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
> <ID>
CHEBI:16196

> <NAME>
oleic acid

> <DEFINITION>
An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44741; CHEBI:104361; CHEBI:7741; CHEBI:25664

> <SYNONYM>
Oelsaeure; OLEIC ACID; Oleic acid; Oleate; Oelsaeure; Octadec-9-enoic acid; FA 18:1; cis-oleic acid; cis-Delta(9)-octadecenoic acid; cis-9-octadecenoic acid; C18:1 n-9; 18:1Delta9cis; 18:1 n-9; (Z)-Octadec-9-enoic acid; (9Z)-Octadecenoic acid

> <IUPAC_NAME>
(9Z)-octadec-9-enoic acid

> <FORMULA>
C18H34O2

> <MASS>
282.46140

> <MONOISOTOPIC_MASS>
282.25588

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

> <INCHIKEY>
ZQPPMHVWECSIRJ-KTKRTIGZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1726542

> <CAS_REGISTRY_NUMBER>
112-80-1

> <GMELIN_REGISTRY_NUMBER>
57556

> <REAXYS_REGISTRY_NUMBER>
1726542

> <CHEMIDPLUS>
112-80-1

> <DRUGBANK_ACCESSION>
DB04224

> <ECMDB_ACCESSION>
ECMDB21348

> <KEGG_COMPOUND_ACCESSION>
C00712

> <KEGG_DRUG_ACCESSION>
D02315

> <KNAPSACK_ACCESSION>
C00001232

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030002

> <NIST_CHEMISTRY_WEBBOOK>
112-80-1

> <PDBECHEM_ACCESSION>
OLA

> <WIKIPEDIA_ACCESSION>
Oleic_acid

> <PUBMED_CITATION>
11304127; 15325315; 15723125; 18772370; 19761868; 23844805; 24819471; 25584012; 25794012; 5332408; 6205897

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