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CHEBI:138681 - HP_dp04_0003
| Formula | C24H38N2O35S5 |
| Net Charge | 0 |
| Average Mass | 1074.882 |
| Monoisotopic Mass | 1073.98587 |
| 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[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O1 |
| InChI | InChI=1S/C24H38N2O35S5/c27-4-1-5(19(32)33)55-24(14(4)61-66(49,50)51)58-16-7(3-53-65(46,47)48)56-22(9(11(16)29)26-63(40,41)42)59-17-12(30)13(31)23(60-18(17)20(34)35)57-15-6(2-52-64(43,44)45)54-21(36)8(10(15)28)25-62(37,38)39/h1,4,6-18,21-31,36H,2-3H2,(H,32,33)(H,34,35)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t4-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,21-,22+,23+,24-/m0/s1 |
| InChIKey | QTSOBXZFMHJWGX-QRVIBNMSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | - | PubMed (20729345) | Porcine intestinal mucosa heparin |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| HP_dp04_0003 (CHEBI:138681) is a amino tetrasaccharide (CHEBI:59412) |
| HP_dp04_0003 (CHEBI:138681) is a heparin tetrasaccharide (CHEBI:132213) |
| HP_dp04_0003 (CHEBI:138681) is a oligosaccharide sulfate (CHEBI:37909) |
| IUPAC Name |
|---|
| 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| alpha-delta4,5-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(6S) | IUPAC |
| α-Δ4,5-UA(2S)-(1-4)-α-D-GlcpNS(6S)-(1-4)-β-D-GlcpA-(1-4)-α-D-GlcpNS(6S) | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| G73053PN | GlyTouCan |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7247680 | Reaxys |
| Citations |
|---|