2-mercapto-octadecanoic acid (CHEBI:169800)

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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	2-mercapto-octadecanoic acid

ChEBI ID	CHEBI:169800

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H36O2S

Net Charge

Average Mass

316.540

Monoisotopic Mass

316.24360

InChI

InChI=1S/C18H36O2S/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21/h21H,1-17H2,(H,19,20)

InChIKey

FTGROEQKMLQQEP-UHFFFAOYSA-N

SMILES

SCCCCCCCCCCCCCCCCCC(O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 )

ChEBI Ontology
Outgoing	2-mercapto-octadecanoic acid (CHEBI:169800) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

18-sulanyloctadecanoic acid