CHEBI:157058 - (4S,5R,6R)-2-[[(2R,3R,4S,5R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name (4S,5R,6R)-2-[[(2R,3R,4S,5R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChEBI ID CHEBI:157058
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C25H42N2O20
Net Charge 0
Average Mass 690.605
Monoisotopic Mass 690.23309
InChI InChI=1S/C25H42N2O20/c1-7(31)26-14-20(17(37)10(4-29)44-22(14)40)46-23-19(39)18(38)16(36)11(45-23)6-43-25(24(41)42)2-8(32)13(27-12(34)5-30)21(47-25)15(35)9(33)3-28/h8-11,13-23,28-30,32-33,35-40H,2-6H2,1H3,(H,26,31)(H,27,34)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17-,18-,19+,20+,21+,22-,23?,25?/m0/s1
InChIKey XWQFZUQFJHAGFR-ZRWOAVMXSA-N
SMILES O1[C@H]([C@H](NC(=O)CO)[C@@H](O)CC1(OC[C@H]2OC(O[C@@H]3[C@@H](NC(=O)C)[C@H](O[C@@H]([C@@H]3O)CO)O)[C@H](O)[C@@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)CO
ChEBI Ontology
Outgoing (4S,5R,6R)-2-[[(2R,3R,4S,5R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:157058) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose SUBMITTER
NeuGc(?2-6)Gal(?1-3)a-GalNAc SUBMITTER
WURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCCO/3=O]/1-2-3/a3-b1_b6-c2 SUBMITTER
Manual Xrefs Databases
G24946XU GlyTouCan
G24946XU GlyGen
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