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CHEBI:187171 - 7-epi-7-A4-NeuroP

ChEBI IDCHEBI:187171
ChEBI Name7-epi-7-A4-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC/C=C\C/C=C\C[C@@H]1C=CC(=O)[C@@H]1/C=C/[C@H](O)C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O4/c1-2-3-4-5-6-8-11-18-14-17-21(24)20(18)16-15-19(23)12-9-7-10-13-22(25)26/h3-4,6-9,14-20,23H,2,5,10-13H2,1H3,(H,25,26)/b4-3-,8-6-,9-7-,16-15+/t18-,19-,20-/m1/s1
InChIKeySLNXHGURYZJBEC-CRSSZZOOSA-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)
7-epi-7-A4-NeuroP (CHEBI:187171) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(4Z,7R,8E)-7-hydroxy-9-[(1R,2R)-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]nona-4,8-dienoic acid
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