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CHEBI:148166 - α-D-GlcpNS-(1→4)-α-L-IdopA2S
| Formula | C12H21NO17S2 |
| Net Charge | 0 |
| Average Mass | 515.424 |
| Monoisotopic Mass | 515.02509 |
| SMILES | O=C(O)[C@@H]1O[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O |
| WURCS | WURCS=2.0/2,2,1/[a2121A-1a_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O]/1-2/a4-b1 |
| InChI | InChI=1S/C12H21NO17S2/c14-1-2-4(15)5(16)3(13-31(21,22)23)12(27-2)29-7-6(17)8(30-32(24,25)26)11(20)28-9(7)10(18)19/h2-9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5-,6+,7+,8-,9-,11-,12-/m1/s1 |
| InChIKey | RFPBVNUWLBNQSQ-GQBJTHPJSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-GlcpNS-(1→4)-α-L-IdopA2S (CHEBI:148166) is a disaccharide derivative (CHEBI:63353) |
| α-D-GlcpNS-(1→4)-α-L-IdopA2S (CHEBI:148166) is a monocarboxylic acid (CHEBI:25384) |
| α-D-GlcpNS-(1→4)-α-L-IdopA2S (CHEBI:148166) is a oligosaccharide sulfate (CHEBI:37909) |
| α-D-GlcpNS-(1→4)-α-L-IdopA2S (CHEBI:148166) is a sulfamic acids (CHEBI:35719) |
| IUPAC Names |
|---|
| GlcNS(a1-4)a-IdoA2S |
| 4-O-[2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl]-2-O-sulfo-α-L-idopyranuronic acid |
| Synonyms | Source |
|---|---|
| 2-deoxy-2-sulfoamino-α-D-gluco-hexopyranosyl-(1→4)-2-O-sulfo-α-L-ido-hexopyranuronic acid | IUPAC |
| (2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-4,6-dihydroxy-5-sulfooxyoxane-2-carboxylic acid | IUPAC |