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CHEBI:42917 - HP_dp02_0008(3−)

ChEBI IDCHEBI:42917
ChEBI NameHP_dp02_0008(3−)
Stars
ASCII NameHP_dp02_0008(3-)
DefinitionA carbohydrate acid derivative anion that is HP_dp02_0008 [α-Δ4,5-UA(2S)-(1→4)-α-D-GlcpNS] in which the carboxy, sulfamic acid, and sulfooxy groups have undergone deprotonation.
Last Modified30 November 2017
DownloadsMolfile
FormulaC12H16NO16S2
Net Charge-3
Average Mass494.385
Monoisotopic Mass493.99270
SMILESO=C([O-])C1=C[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@@H](O)O[C@@H]2CO)O1
InChIInChI=1S/C12H19NO16S2/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25)/p-3/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1
InChIKeyGSYQGRODWXMUOO-GYBHJADLSA-K
ChEBI Ontology
Outgoing Relation(s)
HP_dp02_0008(3−) (CHEBI:42917) is a carbohydrate acid derivative anion (CHEBI:63551)
HP_dp02_0008(3−) (CHEBI:42917) is a organic sulfamate oxoanion (CHEBI:61660)
HP_dp02_0008(3−) (CHEBI:42917) is a organosulfate oxoanion (CHEBI:58958)
HP_dp02_0008(3−) (CHEBI:42917) is conjugate base of HP_dp02_0008 (CHEBI:138684)
Incoming Relation(s)
HP_dp02_0008 (CHEBI:138684) is conjugate acid of HP_dp02_0008(3−) (CHEBI:42917)
IUPAC Name 
2-deoxy-4-O-(4-deoxy-2-O-sulfonato-α-L-threo-hex-4-enopyranuronosyl)-2-(sulfonatoamino)-α-D-glucopyranose
Manual XrefsDatabases
DB02353DrugBank
H3SPDBeChem