CHEBI:193356 - delta18-13-NeuroF

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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 delta18-13-NeuroF
ChEBI ID CHEBI:193356
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O6
Net Charge 0
Average Mass 394.508
Monoisotopic Mass 394.23554
InChI InChI=1S/C22H34O6/c1-2-17(23)14-15-18(24)21-16-19(25)20(28-21)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-21,23-25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+
InChIKey WDTITJNJJBBXNE-KBUBQVDUSA-N
SMILES O1C(CC(O)C1C/C=C\C/C=C\C/C=C\CCC(O)=O)C(O)/C=C/C(O)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). 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 delta18-13-NeuroF (CHEBI:193356) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(4Z,7Z,10Z)-12-[5-[(E)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]dodeca-4,7,10-trienoic acid
Manual Xref Database
LMFA04020008 LIPID MAPS
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