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CHEBI:142861 - ω-sulfo-β-dihydromenaquinone-9

ChEBI IDCHEBI:142861
ChEBI Nameω-sulfo-β-dihydromenaquinone-9
Stars
ASCII Nameomega-sulfo-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is second nearest to the naphthoquinone moiety has been dihydrogenated and one of the terminal methyl hydrogens has been replaced by a sulf group.
Last Modified27 February 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC56H81O6S
Net Charge-1
Average Mass882.325
Monoisotopic Mass881.57593
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)COS(=O)(=O)[O-])C(=O)c2ccccc2C1=O
InChIInChI=1S/C56H82O6S/c1-42(22-14-24-44(3)26-16-28-46(5)30-18-32-48(7)34-20-36-50(9)41-62-63(59,60)61)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(57)53-37-11-12-38-54(53)56(52)58/h11-12,21,24-25,28-29,32,36-39,47H,13-20,22-23,26-27,30-31,33-35,40-41H2,1-10H3,(H,59,60,61)/p-1/b42-21+,43-25+,44-24+,45-29+,46-28+,48-32+,49-39+,50-36+
InChIKeyYLFBUPJPGZEDIM-HSHHTCJHSA-M
ChEBI Ontology
Outgoing Relation(s)
ω-sulfo-β-dihydromenaquinone-9 (CHEBI:142861) is a organosulfonate oxoanion (CHEBI:33554)
ω-sulfo-β-dihydromenaquinone-9 (CHEBI:142861) is conjugate base of Sulfated Dihydromenaquinone-9 (CHEBI:166697)
Incoming Relation(s)
Sulfated Dihydromenaquinone-9 (CHEBI:166697) is conjugate acid of ω-sulfo-β-dihydromenaquinone-9 (CHEBI:142861)
UniProt Name  Source
ω-sulfo-β-dihydromenaquinone-9UniProt
Manual XrefsDatabases
CPD-18196MetaCyc
Citations