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CHEBI:193356 - delta18-13-NeuroF

ChEBI IDCHEBI:193356
ChEBI Namedelta18-13-NeuroF
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESCCC(O)/C=C/C(O)C1CC(O)C(C/C=C\C/C=C\C/C=C\CCC(=O)O)O1
InChIInChI=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+
InChIKeyWDTITJNJJBBXNE-KBUBQVDUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
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