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

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ChEBI Name ω-hydroxy-β-dihydromenaquinone-9
ChEBI ID CHEBI:140189
ChEBI ASCII Name omega-hydroxy-beta-dihydromenaquinone-9
Definition A 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is second nearest to the naphthoquinone moiety has been dihydrogenated and one of the terminal methyl hydrogens has been replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C56H82O3
Net Charge 0
Average Mass 803.251
Monoisotopic Mass 802.62640
InChI InChI=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+
InChIKey SIXCRFGMVUATBG-HSHHTCJHSA-N
SMILES C1(=O)C(C)=C(C(=O)C2=CC=CC=C12)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(/CC/C=C(/CC/C=C(/CO)\C)\C)\C
Metabolite of Species Details
Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonym Source
ω-hydroxy-β-dihydromenaquinone-9 UniProt
Manual Xref Database
CPD-18194 MetaCyc
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Citations Waiting for Citations Types Sources
18928249 PubMed citation SUBMITTER
27933784 PubMed citation SUBMITTER
Last Modified
26 February 2018