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CHEBI:184466 - Ceriporic acid B

ChEBI IDCHEBI:184466
ChEBI NameCeriporic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O4
Net Charge0
Average Mass354.531
Monoisotopic Mass354.27701
SMILESC=C(C(=O)O)[C@@H](CCCCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeyGFBJXFMJWQHQJC-LJQANCHMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ceriporic acid B (CHEBI:184466) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2R)-2-hexadecyl-3-methylidenebutanedioic acid
Manual XrefsDatabases
113369163ChemSpider
LMFA01170125LIPID MAPS