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CHEBI:43053 - heparin disaccharide I-S(4−)
| Formula | C12H15NO19S3 |
| Net Charge | -4 |
| Average Mass | 573.441 |
| Monoisotopic Mass | 572.94223 |
| SMILES | O=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]2COS(=O)(=O)[O-])O1 |
| InChI | InChI=1S/C12H19NO19S3/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-4/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1 |
| InChIKey | LRPGJWKAYQRIAQ-GYBHJADLSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| heparin disaccharide I-S(4−) (CHEBI:43053) is a carbohydrate acid derivative anion (CHEBI:63551) |
| heparin disaccharide I-S(4−) (CHEBI:43053) is a monocarboxylic acid anion (CHEBI:35757) |
| heparin disaccharide I-S(4−) (CHEBI:43053) is a organic sulfamate oxoanion (CHEBI:61660) |
| heparin disaccharide I-S(4−) (CHEBI:43053) is a organosulfate oxoanion (CHEBI:58958) |
| heparin disaccharide I-S(4−) (CHEBI:43053) is conjugate base of HP_dp02_0009 (CHEBI:138683) |
| Incoming Relation(s) |
| HP_dp02_0009 (CHEBI:138683) is conjugate acid of heparin disaccharide I-S(4−) (CHEBI:43053) |
| IUPAC Name |
|---|
| 2-deoxy-4-O-(4-deoxy-2-O-sulfonato-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-2-(sulfonatoamino)-α-D-glucopyranose |
| Synonym | Source |
|---|---|
| (2R,3R,4S)-2-({(2R,3S,4R,5R,6S)-4,6-dihydroxy-5-(sulfonatoamino)-2-[(sulfonatooxy)methyl]tetrahydro-2H-pyran-3-yl}oxy)-4-hydroxy-3-(sulfonatooxy)-3,4-dihydro-2H-pyran-6-carboxylate (non-preferred name) | PDBeChem |
| Citations |
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