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

PropertiesImage
MNX_IDMNXM41411 Image of MNXM41411
referencechebi:62532
formulaC46H78N2O35
global charge0
mol weight1219.109
InChIKeyIEIKZYHDKYKRAL-APCLMFJUSA-N
InChIInChI=1S/C46H78N2O35/c1-10-21(56)26(61)31(66)43(72-10)82-38-20(48-12(3)55)41(77-17(8-53)36(38)80-44-32(67)27(62)22(57)13(4-49)75-44)71-9-18-25(60)39(34(69)46(78-18)79-35-16(7-52)73-40(70)30(65)29(35)64)83-42-19(47-11(2)54)37(24(59)15(6-51)74-42)81-45-33(68)28(63)23(58)14(5-50)76-45/h10,13-46,49-53,56-70H,4-9H2,1-3H3,(H,47,54)(H,48,55)/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](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(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]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/C46H78N2O35/c1-10-21(56)26(61)31(66)43(72-10)82-38-20(48-12(3)55)41(77-17(8-53)36(38)80-44-32(67)27(62)22(57)13(4-49)75-44)71-9-18-25(60)39(34(69)46(78-18)79-35-16(7-52)73-40(70)30(65)29(35)64)83-42-19(47-11(2)54)37(24(59)15(6-51)74-42)81-45-33(68)28(63)23(58)14(5-50)76-45/h10,13-46,49-53,56-70H,4-9H2,1-3H3,(H,47,54)(H,48,55)/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 MNXM41411
SMILES (mnx)[CH3:1][C@H:10]1[C@@H:21]([OH:56])[C@@H:26]([OH:61])[C@H:31]([OH:66])[C@H:43]([O:82][C@@H:38]2[C@@H:20]([N:48]=[C:12]([CH3:3])[OH:55])[C@H:41]([O:71][CH2:9][C@@H:18]3[C@H:25]([OH:60])[C@H:39]([O:83][C@H:42]4[C@H:19]([N:47]=[C:11]([CH3:2])[OH:54])[C@@H:37]([O:81][C@H:45]5[C@H:33]([OH:68])[C@@H:28]([OH:63])[C@@H:23]([OH:58])[C@@H:14]([CH2:5][OH:50])[O:76]5)[C@H:24]([OH:59])[C@@H:15]([CH2:6][OH:51])[O:74]4)[C@@H:34]([OH:69])[C@H:46]([O:79][C@@H:35]4[C@@H:16]([CH2:7][OH:52])[O:73][CH:40]([OH:70])[C@H:30]([OH:65])[C@H:29]4[OH:64])[O:78]3)[O:77][C@H:17]([CH2:8][OH:53])[C@H:36]2[O:80][C@H:44]2[C@H:32]([OH:67])[C@@H:27]([OH:62])[C@@H:22]([OH:57])[C@@H:13]([CH2:4][OH:49])[O:75]2)[O:72]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:62532
chebi:62532
IEIKZYHDKYKRAL-APCLMFJUSA-N 		alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->6)-[beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)]-beta-D-Galp-(1->4)-D-Glcp
(Gal)3 (Glc)1 (GlcNAc)2 (LFuc)1
6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
Galb1-4(Fuca1-3)GlcNAcb1-6(Galb1-3GlcNAcb1-3)Galb1-4Glc
Galbetab1-4(Fucalpha1-3)GlcNAcbeta1-6(Galbeta1-3GlcNAcbeta1-3)Galb1-4Glc
MFLNH-III
Monofucosyllacto-N-hexaose-III
WURCS=2.0/4,7,6/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-3-4-2/a4-b1_b3-c1_b6-e1_c3-d1_e3-f1_e4-g1
alpha-L-Fuc-(1->3)-[beta-D-Gal-(1->4)]-beta-D-GlcNAc-(1->6)-[beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)]-beta-D-Gal-(1->4)-D-Glc
alpha-L-fucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->6)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)]-beta-D-galactosyl-(1->4)-D-glucose

kegg.glycan:G00680
keggG:G00680 		Monofucosyllacto-N-hexaose-III
MFLNH-III

keggG:M_G00680 		secondary/obsolete/fantasy identifier