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CHEBI:78278 - ω-hydroxymenaquinone-4

ChEBI IDCHEBI:78278
ChEBI Nameω-hydroxymenaquinone-4
Stars
ASCII Nameomega-hydroxymenaquinone-4
DefinitionA prenylnaphthoquinone obtained by hydroxylation of one of the terminal methyl groups of menaquinone-4.
Last Modified9 June 2016
SubmitterKAX
DownloadsMolfile
FormulaC31H40O3
Net Charge0
Average Mass460.658
Monoisotopic Mass460.29775
SMILESCC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)C(=O)c2ccccc2C1=O
InChIInChI=1S/C31H40O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,12-13,16-19,32H,8-11,14-15,20-21H2,1-5H3/b22-13+,23-12+,24-19+,25-16+
InChIKeyRPXZMNAKSDAWRS-PUTDXGHDSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
ω-hydroxymenaquinone-4 (CHEBI:78278) has functional parent menaquinone-4 (CHEBI:78277)
ω-hydroxymenaquinone-4 (CHEBI:78278) has role human metabolite (CHEBI:77746)
ω-hydroxymenaquinone-4 (CHEBI:78278) is a prenylnaphthoquinone (CHEBI:26254)
ω-hydroxymenaquinone-4 (CHEBI:78278) is a primary alcohol (CHEBI:15734)
IUPAC Name 
2-[(2E,6E,10E,14E)-16-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-3-methyl-1,4-naphthoquinone
UniProt Name  Source
ω-hydroxymenaquinone-4UniProt
Registry NumbersSources
Reaxys:10740527Reaxys
Citations