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CHEBI:185191 - (5R,8R,11R)-d9-4-NeuroF[4S,7R]

ChEBI IDCHEBI:185191
ChEBI Name(5R,8R,11R)-d9-4-NeuroF[4S,7R]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILES[H][C@]1([C@H](O)/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CC)C[C@@H](O)[C@H](CCC(=O)O)O1
InChIInChI=1S/C22H34O6/c1-2-3-4-5-6-7-8-9-10-11-17(23)12-13-18(24)21-16-19(25)20(28-21)14-15-22(26)27/h3-4,6-7,9-10,12-13,17-21,23-25H,2,5,8,11,14-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12+/t17-,18-,19-,20+,21-/m1/s1
InChIKeyYAWXQASCPGBUSW-CWDXHPGWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(5R,8R,11R)-d9-4-NeuroF[4S,7R] (CHEBI:185191) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
3-[(2S,3R,5R)-5-[(1R,2E,4R,6Z,9Z,12Z)-1,4-dihydroxypentadeca-2,6,9,12-tetraenyl]-3-hydroxyoxolan-2-yl]propanoic acid
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