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CHEBI:230606 - 2-chloro-stearic acid

Default Structure
ChEBI IDCHEBI:230606
ChEBI Name2-chloro-stearic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H35ClO2
Net Charge0
Average Mass318.929
Monoisotopic Mass318.23256
SMILESCCCCCCCCCCCCCCCCC(Cl)C(=O)O
InChIInChI=1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKeyDQNLLSNNESIVOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
2-chloro-stearic acid (CHEBI:230606) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-chlorooctadecanoic acid
Manual XrefsDatabases
11480878ChemSpider
HMDB0245076HMDB