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CHEBI:152264 - (2S,4S,5R,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6S)-3-Acetamido-6-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-carboxy-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-4-hydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:152264
ChEBI Name(2S,4S,5R,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6S)-3-Acetamido-6-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-carboxy-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-4-hydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC42H69N3O32
Net Charge0
Average Mass1128.003
Monoisotopic Mass1127.38642
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)COC(C)=O)O4)O3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/5,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][Aad21122h-2a_2-6_5*N_9*OCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a4-b1_b3-c2_b4-e1_c8-d2
InChIInChI=1S/C42H69N3O32/c1-11(50)44-22-15(54)5-42(40(66)67,76-34(22)26(58)18(7-47)74-41(39(64)65)4-14(53)21(43)33(75-41)24(56)16(55)10-68-13(3)52)77-35-30(62)38(72-31-19(8-48)69-36(63)29(61)28(31)60)71-20(9-49)32(35)73-37-23(45-12(2)51)27(59)25(57)17(6-46)70-37/h14-38,46-49,53-63H,4-10,43H2,1-3H3,(H,44,50)(H,45,51)(H,64,65)(H,66,67)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,41+,42-/m0/s1
InChIKeyGYHAJUOVNQHIJB-GYJSMNATSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6S)-3-Acetamido-6-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-carboxy-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-4-hydroxyoxane-2-carboxylic acid (CHEBI:152264) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
9-O-acetyl-5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Neu9Ac(a2-8)NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G58239DHGlyGen
G58239DHGlyTouCan