12S-Hydroxy-16-heptadecynoic acid (CHEBI:165400)

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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	12S-Hydroxy-16-heptadecynoic acid

ChEBI ID	CHEBI:165400

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H30O3

Net Charge

Average Mass

282.424

Monoisotopic Mass

282.21949

InChI

InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m1/s1

InChIKey

HBFCVDJQUPEEIC-MRXNPFEDSA-N

SMILES

O[C@@H](CCCCCCCCCCC(O)=O)CCCC#C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	12S-Hydroxy-16-heptadecynoic acid (CHEBI:165400) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(12S)-12-hydroxyheptadec-16-ynoic acid