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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ent-13-epi-13-D4t-NeuroP
ChEBI ID CHEBI:186519
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=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
InChIKey BAWOSSADQOARSN-LRXWNGDYSA-N
SMILES O[C@H]1[C@@H]([C@@H](C(=O)C1)CC)/C=C/[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
113370231 ChemSpider
LMFA04010211 LIPID MAPS
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