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CHEBI:185273 - ent-20-epi-20-E4t-NeuroP

ChEBI IDCHEBI:185273
ChEBI Nameent-20-epi-20-E4t-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O5/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/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,21-/m0/s1
InChIKeyBIHPRUQXOKWQGU-SQLZXENJSA-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-E4t-NeuroP (CHEBI:185273) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
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