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

PropertiesImage
MNX_IDMNXM152053 Image of MNXM152053
referencechebi:150159
formulaC46H78N2O35
global charge0
mol weight1219.109
InChIKeyYKBRNELVKRWPSY-UHOFZGCMSA-N
InChIInChI=1S/C46H78N2O35/c1-10-21(57)27(63)31(67)43(71-10)83-39-38(82-41-19(47-11(2)55)26(62)22(58)13(4-49)73-41)25(61)16(7-52)76-46(39)80-36-20(48-12(3)56)42(74-14(5-50)23(36)59)81-37-24(60)15(6-51)75-45(33(37)69)79-35-18(9-54)77-44(32(68)29(35)65)78-34-17(8-53)72-40(70)30(66)28(34)64/h10,13-46,49-54,57-70H,4-9H2,1-3H3,(H,47,55)(H,48,56)/t10-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45+,46-/m0/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C46H78N2O35/c1-10-21(57)27(63)31(67)43(71-10)83-39-38(82-41-19(47-11(2)55)26(62)22(58)13(4-49)73-41)25(61)16(7-52)76-46(39)80-36-20(48-12(3)56)42(74-14(5-50)23(36)59)81-37-24(60)15(6-51)75-45(33(37)69)79-35-18(9-54)77-44(32(68)29(35)65)78-34-17(8-53)72-40(70)30(66)28(34)64/h10,13-46,49-54,57-70H,4-9H2,1-3H3,(H,47,55)(H,48,56)/t10-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45+,46-/m0/s1 Image of MNXM152053
SMILES (mnx)[CH3:1][C@H:10]1[C@@H:21]([OH:57])[C@@H:27]([OH:63])[C@H:31]([OH:67])[C@H:43]([O:83][C@@H:39]2[C@@H:38]([O:82][C@@H:41]3[C@H:19]([N:47]=[C:11]([CH3:2])[OH:55])[C@@H:26]([OH:62])[C@@H:22]([OH:58])[C@@H:13]([CH2:4][OH:49])[O:73]3)[C@@H:25]([OH:61])[C@@H:16]([CH2:7][OH:52])[O:76][C@H:46]2[O:80][C@@H:36]2[C@@H:20]([N:48]=[C:12]([CH3:3])[OH:56])[C@H:42]([O:81][C@H:37]3[C@@H:24]([OH:60])[C@@H:15]([CH2:6][OH:51])[O:75][C@H:45]([O:79][C@H:35]4[C@@H:18]([CH2:9][OH:54])[O:77][C@@H:44]([O:78][C@@H:34]5[C@@H:17]([CH2:8][OH:53])[O:72][C@@H:40]([OH:70])[C@H:30]([OH:66])[C@H:28]5[OH:64])[C@H:32]([OH:68])[C@H:29]4[OH:65])[C@@H:33]3[OH:69])[O:74][C@H:14]([CH2:5][OH:50])[C@@H:23]2[OH:59])[O:71]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:150159
chebi:150159
YKBRNELVKRWPSY-UHOFZGCMSA-N 		N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GalNAc(b1-3)Gal(a1-4)Gal(b1-4)b-Glc
WURCS=2.0/6,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-2-5-6/a4-b1_b4-c1_c3-d1_d3-e1_e2-f1_e3-g1

CHEBI:85883
chebi:85883
YKBRNELVKRWPSY-AJFYBYJFSA-N 		alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-Glcp
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-D-glucose
O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->3)-O-alpha-D-galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
WURCS=2.0/6,7,6/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-2-5-6/a4-b1_b4-c1_c3-d1_d3-e1_e2-f1_e3-g1
alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-Glc
alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-Glcp
alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-Glc
alpha-L-fucosyl-(1->2)-[N-acetyl-alpha-D-galactosaminyl-(1->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-D-glucose