CHEBI:42917 - HP_dp02_0008(3−)

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ChEBI Name HP_dp02_0008(3−)
ChEBI ID CHEBI:42917
ChEBI ASCII Name HP_dp02_0008(3-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H16NO16S2
Net Charge -3
Average Mass 494.385
Monoisotopic Mass 493.99270
InChI InChI=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
InChIKey GSYQGRODWXMUOO-GYBHJADLSA-K
SMILES O1[C@H]([C@@H]([C@H](C=C1C(=O)[O-])O)OS([O-])(=O)=O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O)NS([O-])(=O)=O)O
ChEBI Ontology
Outgoing 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 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 Xrefs Databases
DB02353 DrugBank
H3S PDBeChem
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Last Modified
30 November 2017