CHEBI:186309 - ent-7-epi-4-D4c-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-7-epi-4-D4c-NeuroP
ChEBI ID CHEBI:186309
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/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-19,21,23,25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+/t17-,18+,19+,21+/m0/s1
InChIKey IDXBOXWUWDDSSX-BDFFTPARSA-N
SMILES O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\C/C=C\C/C=C\CC)/C=C/[C@H](O)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
ChEBI Ontology
Outgoing ent-7-epi-4-D4c-NeuroP (CHEBI:186309) is a prostanoid (CHEBI:26347)
IUPAC Name
(E,4R)-4-hydroxy-6-[(1R,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
Manual Xrefs Databases
113370163 ChemSpider
LMFA04010140 LIPID MAPS
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