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

PropertiesImage
MNX_IDMNXM1113402 Image of MNXM1113402
referencechebi:147679
formulaC36H61N3O25
global charge0
mol weight935.88
InChIKeyGYCRKMYWHOEXIF-JOTCVJAESA-N
InChIInChI=1S/C36H61N3O25/c1-9-20(46)25(51)27(53)35(57-9)64-31-19(39-12(4)45)33(61-15(7-42)29(31)62-34-17(37-10(2)43)24(50)21(47)13(5-40)59-34)56-8-16-23(49)30(18(32(55)58-16)38-11(3)44)63-36-28(54)26(52)22(48)14(6-41)60-36/h9,13-36,40-42,46-55H,5-8H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)O[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C36H61N3O25/c1-9-20(46)25(51)27(53)35(57-9)64-31-19(39-12(4)45)33(61-15(7-42)29(31)62-34-17(37-10(2)43)24(50)21(47)13(5-40)59-34)56-8-16-23(49)30(18(32(55)58-16)38-11(3)44)63-36-28(54)26(52)22(48)14(6-41)60-36/h9,13-36,40-42,46-55H,5-8H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-/m0/s1 Image of MNXM1113402
SMILES (mnx)[CH3:1][C@H:9]1[C@@H:20]([OH:46])[C@@H:25]([OH:51])[C@H:27]([OH:53])[C@H:35]([O:64][C@@H:31]2[C@@H:19]([N:39]=[C:12]([CH3:4])[OH:45])[C@H:33]([O:56][CH2:8][C@@H:16]3[C@H:23]([OH:49])[C@H:30]([O:63][C@H:36]4[C@H:28]([OH:54])[C@@H:26]([OH:52])[C@@H:22]([OH:48])[C@@H:14]([CH2:6][OH:41])[O:60]4)[C@@H:18]([N:38]=[C:11]([CH3:3])[OH:44])[C@@H:32]([OH:55])[O:58]3)[O:61][C@H:15]([CH2:7][OH:42])[C@H:29]2[O:62][C@H:34]2[C@H:17]([N:37]=[C:10]([CH3:2])[OH:43])[C@@H:24]([OH:50])[C@@H:21]([OH:47])[C@@H:13]([CH2:5][OH:40])[O:59]2)[O:57]1
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:147679
chebi:147679
GYCRKMYWHOEXIF-JOTCVJAESA-N 		N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
Fuc(a1-3)[GalNAc(b1-4)]GlcNAc(b1-6)[Gal(b1-3)]a-GalNAc
WURCS=2.0/5,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_a6-c1_c3-d1_c4-e1

CHEBI:148597
chebi:148597
GYCRKMYWHOEXIF-SBYKEUCWSA-N 		N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
Fuc(a1-3)[GalNAc(b1-4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc
WURCS=2.0/5,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_a6-c1_c3-d1_c4-e1