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alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-{alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->6)}-beta-D-Galp-(1->4)-beta-D-Glcp

PropertiesImage
MNX_IDMNXM102566 Image of MNXM102566
referencechebi:65278
formulaC52H88N2O39
global charge0
mol weight1365.251
InChIKeyVAOYDISGFKDTAC-IYWMIPTCSA-N
InChIInChI=1S/C52H88N2O39/c1-11-23(62)29(68)35(74)48(80-11)91-42-22(54-14(4)61)46(86-19(9-59)40(42)89-50-37(76)31(70)25(64)15(5-55)84-50)79-10-20-28(67)43(38(77)51(87-20)88-39-18(8-58)82-45(78)34(73)33(39)72)92-47-21(53-13(3)60)41(27(66)17(7-57)83-47)90-52-44(32(71)26(65)16(6-56)85-52)93-49-36(75)30(69)24(63)12(2)81-49/h11-12,15-52,55-59,62-78H,5-10H2,1-4H3,(H,53,60)(H,54,61)/t11-,12-,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+,47-,48-,49-,50-,51-,52-/m0/s1
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@H](O)[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](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C52H88N2O39/c1-11-23(62)29(68)35(74)48(80-11)91-42-22(54-14(4)61)46(86-19(9-59)40(42)89-50-37(76)31(70)25(64)15(5-55)84-50)79-10-20-28(67)43(38(77)51(87-20)88-39-18(8-58)82-45(78)34(73)33(39)72)92-47-21(53-13(3)60)41(27(66)17(7-57)83-47)90-52-44(32(71)26(65)16(6-56)85-52)93-49-36(75)30(69)24(63)12(2)81-49/h11-12,15-52,55-59,62-78H,5-10H2,1-4H3,(H,53,60)(H,54,61)/t11-,12-,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+,47-,48-,49-,50-,51-,52-/m0/s1 Image of MNXM102566
SMILES (mnx)[CH3:1][C@H:11]1[C@@H:23]([OH:62])[C@@H:29]([OH:68])[C@H:35]([OH:74])[C@H:48]([O:91][C@@H:42]2[C@@H:22]([N:54]=[C:14]([CH3:4])[OH:61])[C@H:46]([O:79][CH2:10][C@@H:20]3[C@H:28]([OH:67])[C@H:43]([O:92][C@H:47]4[C@H:21]([N:53]=[C:13]([CH3:3])[OH:60])[C@@H:41]([O:90][C@H:52]5[C@H:44]([O:93][C@H:49]6[C@@H:36]([OH:75])[C@H:30]([OH:69])[C@H:24]([OH:63])[C@H:12]([CH3:2])[O:81]6)[C@@H:32]([OH:71])[C@@H:26]([OH:65])[C@@H:16]([CH2:6][OH:56])[O:85]5)[C@H:27]([OH:66])[C@@H:17]([CH2:7][OH:57])[O:83]4)[C@@H:38]([OH:77])[C@H:51]([O:88][C@@H:39]4[C@@H:18]([CH2:8][OH:58])[O:82][C@@H:45]([OH:78])[C@H:34]([OH:73])[C@H:33]4[OH:72])[O:87]3)[O:86][C@H:19]([CH2:9][OH:59])[C@H:40]2[O:89][C@H:50]2[C@H:37]([OH:76])[C@@H:31]([OH:70])[C@@H:25]([OH:64])[C@@H:15]([CH2:5][OH:55])[O:84]2)[O:80]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:65278
chebi:65278
VAOYDISGFKDTAC-IYWMIPTCSA-N 		alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-{alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->6)}-beta-D-Galp-(1->4)-beta-D-Glcp
6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-{6-deoxy-alpha-L-galactopyranosyl-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)}-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
6-deoxy-alpha-L-galactosyl-(1->2)-beta-D-galactosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->3)-{6-deoxy-alpha-L-galactosyl-[beta-D-galactosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucosyl-(1->6)}-beta-D-galactosyl-(1->4)-beta-D-glucose
Fucalpha1-2Galbeta1-3GlcNAcbeta1-3[Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-6]Galbeta1-4Glc
alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-{alpha-L-fucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)}-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->3)-{alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucosyl-(1->6)}-beta-D-galactosyl-(1->4)-beta-D-glucose

CHEBI:150732
chebi:150732
VAOYDISGFKDTAC-LFZFTTHYSA-N 		N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Gal(b1-4)Glc
WURCS=2.0/4,8,7/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-3-4-2/a4-b1_b3-c1_b6-f1_c3-d1_d2-e1_f3-g1_f4-h1