CHEBI:87371 - 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate
ChEBI ID CHEBI:87371
Definition An organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H6O14S2
Net Charge -2
Average Mass 462.32000
Monoisotopic Mass 461.92099
InChI InChI=1S/C14H8O14S2/c15-5-1-3(9(19)13(29(23,24)25)11(21)7(1)17)6(16)2-4(5)10(20)14(30(26,27)28)12(22)8(2)18/h17-22H,(H,23,24,25)(H,26,27,28)/p-2
InChIKey PSJDSNYTNOHIER-UHFFFAOYSA-L
SMILES Oc1c(O)c(c(O)c2C(=O)c3c(O)c(O)c(c(O)c3C(=O)c12)S([O-])(=O)=O)S([O-])(=O)=O
ChEBI Ontology
Outgoing 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate (CHEBI:87371) is a organosulfonate oxoanion (CHEBI:33554)
1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate (CHEBI:87371) is conjugate base of 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid (CHEBI:87372)
Incoming alizarin cyanin BBS (CHEBI:87367) has part 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate (CHEBI:87371)
1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid (CHEBI:87372) is conjugate acid of 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate (CHEBI:87371)
IUPAC Name
1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate
Last Modified
07 August 2015