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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-epi-7-A4-NeuroP
ChEBI ID CHEBI:187171
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.478
Monoisotopic Mass 358.21441
InChI InChI=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
InChIKey SLNXHGURYZJBEC-CRSSZZOOSA-N
SMILES O=C1[C@@H]([C@H](C/C=C\C/C=C\CC)C=C1)/C=C/[C@H](O)C/C=C\CCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
113370418 ChemSpider
LMFA04010403 LIPID MAPS
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