EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185589 - ent-20-epi-20-F4t-NeuroP

ChEBI IDCHEBI:185589
ChEBI Nameent-20-epi-20-F4t-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC[C@H](O)/C=C/[C@H]1[C@@H](C/C=C\C/C=C\C/C=C\CCC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C22H34O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-21,23-25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,20+,21-/m0/s1
InChIKeyCJWASNYUTHNACM-UHLVPQFFSA-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)
ent-20-epi-20-F4t-NeuroP (CHEBI:185589) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(4Z,7Z,10Z)-12-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]dodeca-4,7,10-trienoic acid
Manual XrefsDatabases
113370150ChemSpider
LMFA04010127LIPID MAPS