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CHEBI:152454 - (4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3S,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:152454
ChEBI Name(4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3S,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H62N2O29
Net Charge0
Average Mass998.888
Monoisotopic Mass998.34382
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(O[C@H]2[C@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](NC(C)=O)C(O[C@H]3[C@@H](O)[C@@H](CO)OC(O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2122h-1x_1-5][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][Aad21122h-2x_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b3-c1_c3-d1_c4-e2
InChIInChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,68-29(17)19(49)12(48)4-40)67-28-16(8-44)63-33(18(39-10(2)46)30(28)65-34-25(55)22(52)20(50)13(5-41)61-34)66-31-21(51)14(6-42)62-35(26(31)56)64-27-15(7-43)60-32(57)24(54)23(27)53/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25-,26+,27+,28+,29+,30+,31-,32?,33?,34?,35?,37?/m0/s1
InChIKeyOHVJCBGDSIGASK-BDTKOCOASA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3S,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:152454) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranoseSUBMITTER
Gal(?1-3)[NeuAc(?2-4)]GlcNAc(?1-3)Gal(?1-4)GlcSUBMITTER
Manual XrefsDatabases
G59432OUGlyGen
G59432OUGlyTouCan