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CHEBI:187065 - ent-7-F4t-NeuroP

ChEBI IDCHEBI:187065
ChEBI Nameent-7-F4t-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)C/C=C\CCC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C22H34O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+/t17-,18+,19-,20+,21-/m1/s1
InChIKeyHLOKCEDYFAXGRQ-OAGRKKCCSA-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-7-F4t-NeuroP (CHEBI:187065) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(4Z,7R,8E)-9-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid
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