CHEBI:156800 - [(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate
ChEBI ID CHEBI:156800
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C16H28N2O14S
Net Charge 0
Average Mass 504.460
Monoisotopic Mass 504.12612
InChI InChI=1S/C16H28N2O14S/c1-5(20)17-9-13(24)14(7(3-19)30-15(9)25)32-16-10(18-6(2)21)12(23)11(22)8(31-16)4-29-33(26,27)28/h7-16,19,22-25H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H,26,27,28)/t7-,8-,9-,10-,11+,12-,13-,14-,15-,16+/m1/s1
InChIKey MMPQUGBGPGMLGD-QELKQAQVSA-N
SMILES S(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O)[C@H](NC(=O)C)[C@@H](O)[C@H]1O)(O)(=O)=O
ChEBI Ontology
Outgoing [(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:156800) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
2-acetamido-2-deoxy-6-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
GalNAc6S(b1-4)b-GlcNAc SUBMITTER
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G76572KX GlyTouCan
G76572KX GlyGen
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