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CHEBI:184823 - 14-epi-14-A4-NeuroP

ChEBI IDCHEBI:184823
ChEBI Name14-epi-14-A4-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC/C=C\C/C=C\C[C@@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O4/c1-2-3-4-5-6-8-11-19(23)16-14-18-15-17-21(24)20(18)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-,16-14+/t18-,19-,20-/m1/s1
InChIKeyBMQKFEYQTUWADQ-SQAOGWLOSA-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)
14-epi-14-A4-NeuroP (CHEBI:184823) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(Z)-6-[(1R,2R)-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopent-3-en-1-yl]hex-4-enoic acid
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