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CHEBI:157227 - (4S,5R,6R)-2-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:157227
ChEBI Name(4S,5R,6R)-2-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC47H78N4O35
Net Charge0
Average Mass1259.134
Monoisotopic Mass1258.44466
SMILESCC(=O)N[C@@H]1[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](COC2O[C@H](CO)[C@@H](OC3O[C@H](CO)[C@H](OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](OC4(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O
WURCSWURCS=2.0/5,6,5/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][Aad21122h-2x_2-6_5*NCCO/3=O][a2112h-1x_1-5_2*NCC/3=O]/1-2-3-2-4-5/a3-b1_a6-c1_c4-d1_d3-e2_d4-f1
InChIInChI=1S/C47H78N4O35/c1-12(58)48-24-31(68)28(65)17(6-53)78-43(24)83-37-20(9-56)81-45(35(72)40(37)86-47(46(74)75)4-15(61)23(51-22(63)10-57)39(85-47)27(64)16(62)5-52)82-36-19(8-55)80-42(25(32(36)69)49-13(2)59)76-11-21-30(67)38(26(41(73)77-21)50-14(3)60)84-44-34(71)33(70)29(66)18(7-54)79-44/h15-21,23-45,52-57,61-62,64-73H,4-11H2,1-3H3,(H,48,58)(H,49,59)(H,50,60)(H,51,63)(H,74,75)/t15-,16+,17+,18+,19+,20+,21+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36+,37-,38+,39+,40+,41-,42?,43?,44?,45?,47?/m0/s1
InChIKeyLZNFOUIUZHKDKX-UHFCZZIFSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-2-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:157227) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-D-galacto-hexopyranosyl-(1->4)]-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)-[D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
NeuGc(?2-3)[GalNAc(?1-4)]Gal(?1-4)GlcNAc(?1-6)[Gal(?1-3)]a-GalNAcSUBMITTER
Manual XrefsDatabases
G22516UQGlyGen
G22516UQGlyTouCan