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CHEBI:78276 - ω-hydroxyphylloquinone

ChEBI IDCHEBI:78276
ChEBI Nameω-hydroxyphylloquinone
Stars
ASCII Nameomega-hydroxyphylloquinone
DefinitionA member of the class of phylloquinones obtained by hydroxylation of one of the terminal methyl groups of phylloquinone itself.
Last Modified9 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC31H46O3
Net Charge0
Average Mass466.706
Monoisotopic Mass466.34470
SMILESCC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CO)C(=O)c2ccccc2C1=O
InChIInChI=1S/C31H46O3/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/h6-7,17-19,22-23,25,32H,8-16,20-21H2,1-5H3/b24-19+/t22-,23+,25?/m1/s1
InChIKeyRYJLHGDNDDQPAO-BHQHQDIUSA-N
ChEBI Ontology
Outgoing Relation(s)
ω-hydroxyphylloquinone (CHEBI:78276) is a phylloquinones (CHEBI:26106)
ω-hydroxyphylloquinone (CHEBI:78276) is a primary alcohol (CHEBI:15734)
IUPAC Name 
2-[(2E,7R,11S)-16-hydroxy-3,7,11,15-tetramethylhexadec-2-en-1-yl]-3-methyl-1,4-naphthoquinone
UniProt Name  Source
ω-hydroxyphylloquinoneUniProt
Manual XrefsDatabases
CPD-16628MetaCyc
Citations