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N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

PropertiesImage
MNX_IDMNXM1112878 Image of MNXM1112878
referencechebi:146889
formulaC34H58N2O26
global charge0
mol weight910.826
InChIKeyBOTDAXOFJVVPDY-QQASYXOBSA-N
InChIInChI=1S/C34H58N2O26/c1-8(42)35-15-19(46)26(12(5-39)54-30(15)53)59-31-16(36-9(2)43)20(47)27(13(6-40)57-31)60-34-25(52)29(18(45)11(4-38)56-34)62-33-24(51)22(49)28(14(7-41)58-33)61-32-23(50)21(48)17(44)10(3-37)55-32/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32+,33+,34+/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C34H58N2O26/c1-8(42)35-15-19(46)26(12(5-39)54-30(15)53)59-31-16(36-9(2)43)20(47)27(13(6-40)57-31)60-34-25(52)29(18(45)11(4-38)56-34)62-33-24(51)22(49)28(14(7-41)58-33)61-32-23(50)21(48)17(44)10(3-37)55-32/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32+,33+,34+/m1/s1 Image of MNXM1112878
SMILES (mnx)[CH3:1][C:8](=[N:35][C@@H:15]1[C@@H:19]([OH:46])[C@H:26]([O:59][C@@H:31]2[C@H:16]([N:36]=[C:9]([CH3:2])[OH:43])[C@@H:20]([OH:47])[C@H:27]([O:60][C@H:34]3[C@@H:25]([OH:52])[C@@H:29]([O:62][C@H:33]4[C@@H:24]([OH:51])[C@@H:22]([OH:49])[C@H:28]([O:61][C@H:32]5[C@@H:23]([OH:50])[C@@H:21]([OH:48])[C@H:17]([OH:44])[C@@H:10]([CH2:3][OH:37])[O:55]5)[C@@H:14]([CH2:7][OH:41])[O:58]4)[C@H:18]([OH:45])[C@@H:11]([CH2:4][OH:38])[O:56]3)[C@@H:13]([CH2:6][OH:40])[O:57]2)[C@@H:12]([CH2:5][OH:39])[O:54][C@H:30]1[OH:53])[OH:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:146889
chebi:146889
BOTDAXOFJVVPDY-QQASYXOBSA-N
N-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Man(b1-4)Man(b1-3)Man(b1-4)GlcNAc(a1-4)b-GlcNAc
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-2-3-3-3/a4-b1_b4-c1_c3-d1_d4-e1
beta-D-manno-hexopyranosyl-(1->4)-beta-D-manno-hexopyranosyl-(1->3)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose