CHEBI:186674 - 9-hydroxy-10-Octadecen-12-ynoic acid

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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 9-hydroxy-10-Octadecen-12-ynoic acid
ChEBI ID CHEBI:186674
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H30O3
Net Charge 0
Average Mass 294.435
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m1/s1
InChIKey AUBZNAUZNGCKAN-GWKQRERASA-N
SMILES O[C@@H](CCCCCCCC(O)=O)/C=C/C#CCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
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 9-hydroxy-10-Octadecen-12-ynoic acid (CHEBI:186674) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E,9S)-9-hydroxyoctadec-10-en-12-ynoic acid
Manual Xrefs Databases
16735844 ChemSpider
LMFA01031025 LIPID MAPS
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Registry Number Type Source
7309-58-2 CAS Registry Number ChemIDplus