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CHEBI:166697 - Sulfated Dihydromenaquinone-9

ChEBI IDCHEBI:166697
ChEBI NameSulfated Dihydromenaquinone-9
Stars
Last Modified19 August 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H82O6S
Net Charge0
Average Mass883.333
Monoisotopic Mass882.58321
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)/b42-21+,43-25+,44-24+,45-29+,46-28+,48-32+,49-39+,50-36+
InChIKeyYLFBUPJPGZEDIM-HSHHTCJHSA-N
ChEBI Ontology
Outgoing Relation(s)
Sulfated Dihydromenaquinone-9 (CHEBI:166697) is a 1,4-naphthoquinones (CHEBI:132142)
Sulfated Dihydromenaquinone-9 (CHEBI:166697) is a menaquinones (CHEBI:25185)
Sulfated Dihydromenaquinone-9 (CHEBI:166697) is a organosulfonic acid (CHEBI:33551)
Sulfated Dihydromenaquinone-9 (CHEBI:166697) is conjugate acid of ω-sulfo-β-dihydromenaquinone-9 (CHEBI:142861)
Incoming Relation(s)
ω-sulfo-β-dihydromenaquinone-9 (CHEBI:142861) is conjugate base of Sulfated Dihydromenaquinone-9 (CHEBI:166697)
IUPAC Name 
[(2E,6E,10E,14E,18E,22E,26E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-(3-methyl-1,4-dioxonaphthalen-2-yl)hexatriaconta-2,6,10,14,18,22,26,34-octaenyl] hydrogen sulate
Synonym  Source
MK S881ChEBI
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