CHEBI:196583 - 18:1(12E)(11Me)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 18:1(12E)(11Me)
ChEBI ID CHEBI:196583
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H36O2
Net Charge 0
Average Mass 296.495
Monoisotopic Mass 296.27153
InChI InChI=1S/C19H36O2/c1-3-4-5-9-12-15-18(2)16-13-10-7-6-8-11-14-17-19(20)21/h12,15,18H,3-11,13-14,16-17H2,1-2H3,(H,20,21)/b15-12+
InChIKey ATAFFFIQYLMZPZ-NTCAYCPXSA-N
SMILES OC(=O)CCCCCCCCCC(/C=C/CCCCC)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 18:1(12E)(11Me) (CHEBI:196583) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E)-11-methyloctadec-12-enoic acid
Manual Xrefs Databases
4947946 ChemSpider
LMFA01020386 LIPID MAPS
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