CHEBI:17316 - 2-N,6-O-disulfo-D-glucosamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-N,6-O-disulfo-D-glucosamine
ChEBI ID CHEBI:17316
ChEBI ASCII Name 2-N,6-O-disulfo-D-glucosamine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12628, CHEBI:12421, CHEBI:18068, CHEBI:21812, CHEBI:7068, CHEBI:7361
Supplier Information
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Formulae C6H13NO11S2
C6H13NO11S2
Net Charge 0
Average Mass 339.29800
Monoisotopic Mass 338.99300
InChI InChI=1S/C6H13NO11S2/c8-1-3(7-19(12,13)14)5(10)6(11)4(9)2-18-20(15,16)17/h1,3-7,9-11H,2H2,(H,12,13,14)(H,15,16,17)/t3-,4+,5+,6+/m0/s1
InChIKey BQSMUQUKNCGJCT-SLPGGIOYSA-N
SMILES [H]C(=O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H](O)COS(O)(=O)=O
ChEBI Ontology
Outgoing 2-N,6-O-disulfo-D-glucosamine (CHEBI:17316) is a N-sulfoglucosamine (CHEBI:21794)
2-N,6-O-disulfo-D-glucosamine (CHEBI:17316) is a glucosamine sulfate (CHEBI:37878)
2-N,6-O-disulfo-D-glucosamine (CHEBI:17316) is conjugate acid of 2-N,6-O-disulfonato-D-glucosamine(2−) (CHEBI:58102)
Incoming 2-N,6-O-disulfonato-D-glucosamine(2−) (CHEBI:58102) is conjugate base of 2-N,6-O-disulfo-D-glucosamine (CHEBI:17316)
IUPAC Names
2-deoxy-2-sulfoamino-D-glucose 6-(hydrogen sulfate)
2-deoxy-6-O-sulfo-2-sulfoamino-D-glucose
2-N-sulfo-6-O-sulfo-D-glucosamine
Synonyms Sources
N,6-O-Disulfo-D-glucosamine KEGG COMPOUND
N2,6-Disulfo-D-glucosamine KEGG COMPOUND
Manual Xrefs Databases
C03789 KEGG COMPOUND
SGN PDBeChem
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Last Modified
04 August 2014