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CHEBI:169800 - 2-mercapto-octadecanoic acid

ChEBI IDCHEBI:169800
ChEBI Name2-mercapto-octadecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H36O2S
Net Charge0
Average Mass316.551
Monoisotopic Mass316.24360
SMILESO=C(O)CCCCCCCCCCCCCCCCCS
InChIInChI=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)
InChIKeyFTGROEQKMLQQEP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-mercapto-octadecanoic acid (CHEBI:169800) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
18-sulanyloctadecanoic acid
Manual XrefsDatabases
4471762ChemSpider
LMFA01130002LIPID MAPS