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beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM103071 Image of MNXM103071
referencechebi:68580
formulaC40H68N2O29
global charge0
mol weight1040.969
InChIKeyZJHLTOHNWJIRQK-FFTXTBMESA-N
InChIInChI=1S/C40H68N2O29/c1-9-19(49)23(53)26(56)37(61-9)67-30-15(7-45)63-35(60)17(41-11(3)47)32(30)69-40-29(59)34(22(52)14(6-44)65-40)71-36-18(42-12(4)48)33(70-39-28(58)25(55)21(51)13(5-43)64-39)31(16(8-46)66-36)68-38-27(57)24(54)20(50)10(2)62-38/h9-10,13-40,43-46,49-60H,5-8H2,1-4H3,(H,41,47)(H,42,48)/t9-,10-,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-/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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C40H68N2O29/c1-9-19(49)23(53)26(56)37(61-9)67-30-15(7-45)63-35(60)17(41-11(3)47)32(30)69-40-29(59)34(22(52)14(6-44)65-40)71-36-18(42-12(4)48)33(70-39-28(58)25(55)21(51)13(5-43)64-39)31(16(8-46)66-36)68-38-27(57)24(54)20(50)10(2)62-38/h9-10,13-40,43-46,49-60H,5-8H2,1-4H3,(H,41,47)(H,42,48)/t9-,10-,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-/m0/s1 Image of MNXM103071
SMILES (mnx)[CH3:1][C@H:9]1[C@@H:19]([OH:49])[C@@H:23]([OH:53])[C@H:26]([OH:56])[C@H:37]([O:67][C@@H:30]2[C@@H:15]([CH2:7][OH:45])[O:63][C@@H:35]([OH:60])[C@H:17]([N:41]=[C:11]([CH3:3])[OH:47])[C@H:32]2[O:69][C@H:40]2[C@H:29]([OH:59])[C@@H:34]([O:71][C@H:36]3[C@H:18]([N:42]=[C:12]([CH3:4])[OH:48])[C@@H:33]([O:70][C@H:39]4[C@H:28]([OH:58])[C@@H:25]([OH:55])[C@@H:21]([OH:51])[C@@H:13]([CH2:5][OH:43])[O:64]4)[C@H:31]([O:68][C@H:38]4[C@@H:27]([OH:57])[C@H:24]([OH:54])[C@H:20]([OH:50])[C@H:10]([CH3:2])[O:62]4)[C@@H:16]([CH2:8][OH:46])[O:66]3)[C@@H:22]([OH:52])[C@@H:14]([CH2:6][OH:44])[O:65]2)[O:61]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:68580
chebi:68580
ZJHLTOHNWJIRQK-FFTXTBMESA-N 		beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc
6-deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose
Galb1-3(Fuca1-4)GlcNAcb1-3Galb1-3(Fuca1-4)GlcNAcb
Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta
O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-1-2-3-3/a3-b1_a4-f1_b3-c1_c3-d1_c4-e1
alpha-L-fucopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose
alpha-L-fucosyl-(1->4)-[alpha-L-fucosyl-(1->4)-[beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosamine
beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc
beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosamine