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CHEBI:91147 - HepMer_dp04_0002
| Formula | C30H43N3O29S2 |
| Net Charge | 0 |
| Average Mass | 973.800 |
| Monoisotopic Mass | 973.14236 |
| SMILES | O=C(O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NS(=O)(=O)O |
| InChI | InChI=1S/C30H43N3O29S2/c34-5-9-13(36)14(37)11(31-63(49,50)51)27(56-9)59-22-17(40)19(42)30(62-24(22)26(45)46)58-20-10(6-35)57-28(12(15(20)38)32-64(52,53)54)60-21-16(39)18(41)29(61-23(21)25(43)44)55-8-3-1-7(2-4-8)33(47)48/h1-4,9-24,27-32,34-42H,5-6H2,(H,43,44)(H,45,46)(H,49,50,51)(H,52,53,54)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,27-,28-,29-,30-/m1/s1 |
| InChIKey | IPTBVZSMQKYPJI-GKJVIJBNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| HepMer_dp04_0002 (CHEBI:91147) is a C-nitro compound (CHEBI:35716) |
| HepMer_dp04_0002 (CHEBI:91147) is a amino tetrasaccharide (CHEBI:59412) |
| HepMer_dp04_0002 (CHEBI:91147) is a carbohydrate acid derivative (CHEBI:63436) |
| HepMer_dp04_0002 (CHEBI:91147) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 4-nitrophenyl 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| heparin tetrasaccharide, N-sulphated | ChEBI |
| α-D-GlcpNS-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNS-(1→4)-β-D-GlcpA-O-pNP | ChEBI |
| GlcNS-GlcUA-GlcNS-GlcUA-pNP | ChEBI |
| 4-nitrophenyl 2-deoxy-2-(sulfoamino)-α-D-glucosyl-(1→4)-β-D-glucuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucosyl-(1→4)-β-D-glucuronic acid | ChEBI |
| α-D-GlcNS-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA-O-pNP | ChEBI |
| Citations |
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