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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ω-sulfo-β-dihydromenaquinone-9
ChEBI ID CHEBI:142861
ChEBI ASCII Name omega-sulfo-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is second nearest to the naphthoquinone moiety has been dihydrogenated and one of the terminal methyl hydrogens has been replaced by a sulf group.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C56H81O6S
Net Charge -1
Average Mass 882.307
Monoisotopic Mass 881.57594
InChI InChI=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+
InChIKey YLFBUPJPGZEDIM-HSHHTCJHSA-M
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(/COS([O-])(=O)=O)\C)\C)\C
ChEBI Ontology
Outgoing ω-sulfo-β-dihydromenaquinone-9 (CHEBI:142861) is a organosulfonate oxoanion (CHEBI:33554)
ω-sulfo-β-dihydromenaquinone-9 (CHEBI:142861) is conjugate acid of Sulfated Dihydromenaquinone-9 (CHEBI:166697)
Incoming Sulfated Dihydromenaquinone-9 (CHEBI:166697) is conjugate base of ω-sulfo-β-dihydromenaquinone-9 (CHEBI:142861)
Synonym Source
ω-sulfo-β-dihydromenaquinone-9 UniProt
Manual Xref Database
CPD-18196 MetaCyc accession
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Citation Waiting for Citations Type Source
18928249 PubMed citation SUBMITTER
Last Modified
27 February 2024