EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186309 - ent-7-epi-4-D4c-NeuroP

ChEBI IDCHEBI:186309
ChEBI Nameent-7-epi-4-D4c-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC/C=C\C/C=C\C/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCC(=O)O
InChIInChI=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
InChIKeyIDXBOXWUWDDSSX-BDFFTPARSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LMFA04010140LIPID MAPS
113370163ChemSpider