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CHEBI:186930 - 21-phenyl heneicosanoic acid

ChEBI IDCHEBI:186930
ChEBI Name21-phenyl heneicosanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C27H46O2/c28-27(29)25-21-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26/h17,19-20,23-24H,1-16,18,21-22,25H2,(H,28,29)
InChIKeyNTNZDKQMAVVRKI-UHFFFAOYSA-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)
21-phenyl heneicosanoic acid (CHEBI:186930) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
21-phenylhenicosanoic acid
Manual XrefsDatabases
LMFA01140071LIPID MAPS
113368377ChemSpider