EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140189 - ω-hydroxy-β-dihydromenaquinone-9

ChEBI IDCHEBI:140189
ChEBI Nameω-hydroxy-β-dihydromenaquinone-9
Stars
ASCII Nameomega-hydroxy-beta-dihydromenaquinone-9
DefinitionA member of the class of menaquinones that is menaquinone-9 in which the double bond that is second nearest to the naphthoquinone moiety has been dihydrogenated and one of the terminal methyl hydrogens has been replaced by a hydroxy group.
Last Modified26 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC56H82O3
Net Charge0
Average Mass803.269
Monoisotopic Mass802.62640
SMILESCC1=C(C/C=C(\C)CCCC(C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)C(=O)c2ccccc2C1=O
InChIInChI=1S/C56H82O3/c1-42(22-14-24-44(3)26-16-28-46(5)30-18-32-48(7)34-20-36-50(9)41-57)21-13-23-43(2)25-15-27-45(4)29-17-31-47(6)33-19-35-49(8)39-40-52-51(10)55(58)53-37-11-12-38-54(53)56(52)59/h11-12,21,24-25,28-29,32,36-39,47,57H,13-20,22-23,26-27,30-31,33-35,40-41H2,1-10H3/b42-21+,43-25+,44-24+,45-29+,46-28+,48-32+,49-39+,50-36+
InChIKeySIXCRFGMVUATBG-HSHHTCJHSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium tuberculosis (ncbitaxon:1773) - PubMed (18928249)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
ω-hydroxy-β-dihydromenaquinone-9 (CHEBI:140189) has functional parent menaquinone-9 (CHEBI:44147)
ω-hydroxy-β-dihydromenaquinone-9 (CHEBI:140189) has role bacterial metabolite (CHEBI:76969)
ω-hydroxy-β-dihydromenaquinone-9 (CHEBI:140189) is a menaquinones (CHEBI:25185)
ω-hydroxy-β-dihydromenaquinone-9 (CHEBI:140189) is a primary allylic alcohol (CHEBI:134394)
IUPAC Name 
2-[(2E,10E,14E,18E,22E,26E,30E,34E)-36-hydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,10,14,18,22,26,30,34-octaen-1-yl]-3-methylnaphthalene-1,4-dione
UniProt Name  Source
ω-hydroxy-β-dihydromenaquinone-9UniProt
Manual XrefsDatabases
CPD-18194MetaCyc
Citations