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CHEBI:186070 - ent-17-epi-17-F4t-NeuroP

ChEBI IDCHEBI:186070
ChEBI Nameent-17-epi-17-F4t-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](C/C=C\C/C=C\CCC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C22H34O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-21,23-25H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-3-,9-6-,15-14+/t17-,18+,19-,20+,21-/m0/s1
InChIKeyDSZPTRJZWQQVFK-CQZHOLLOSA-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-17-epi-17-F4t-NeuroP (CHEBI:186070) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(4Z,7Z)-9-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]nona-4,7-dienoic acid
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