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CHEBI:186519 - ent-13-epi-13-D4t-NeuroP

ChEBI IDCHEBI:186519
ChEBI Nameent-13-epi-13-D4t-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC[C@@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)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
InChIKeyBAWOSSADQOARSN-LRXWNGDYSA-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-13-epi-13-D4t-NeuroP (CHEBI:186519) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(4Z,7Z,10Z,13S,14E)-15-[(1R,2S,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
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