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beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp

PropertiesImage
MNX_IDMNXM43936 Image of MNXM43936
referencechebi:62504
formulaC40H68N2O31
global charge0
mol weight1072.967
InChIKeyUTVHXMGRNOOVTB-IXBJWXGWSA-N
InChIInChI=1S/C40H68N2O31/c1-9(49)41-17-22(54)30(69-38-27(59)24(56)19(51)11(3-43)64-38)15(7-47)67-36(17)72-33-20(52)12(4-44)65-39(28(33)60)70-31-16(8-48)68-37(18(23(31)55)42-10(2)50)73-34-21(53)13(5-45)66-40(29(34)61)71-32-14(6-46)63-35(62)26(58)25(32)57/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,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+/m1/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](NC(C)=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(O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[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
MNX internals
InChI (mnx)InChI=1/C40H68N2O31/c1-9(49)41-17-22(54)30(69-38-27(59)24(56)19(51)11(3-43)64-38)15(7-47)67-36(17)72-33-20(52)12(4-44)65-39(28(33)60)70-31-16(8-48)68-37(18(23(31)55)42-10(2)50)73-34-21(53)13(5-45)66-40(29(34)61)71-32-14(6-46)63-35(62)26(58)25(32)57/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,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+/m1/s1 Image of MNXM43936
SMILES (mnx)[CH3:1][C:9](=[N:41][C@@H:17]1[C@@H:22]([OH:54])[C@H:30]([O:69][C@H:38]2[C@H:27]([OH:59])[C@@H:24]([OH:56])[C@@H:19]([OH:51])[C@@H:11]([CH2:3][OH:43])[O:64]2)[C@@H:15]([CH2:7][OH:47])[O:67][C@H:36]1[O:72][C@H:33]1[C@@H:20]([OH:52])[C@@H:12]([CH2:4][OH:44])[O:65][C@@H:39]([O:70][C@@H:31]2[C@@H:16]([CH2:8][OH:48])[O:68][C@@H:37]([O:73][C@H:34]3[C@@H:21]([OH:53])[C@@H:13]([CH2:5][OH:45])[O:66][C@@H:40]([O:71][C@@H:32]4[C@@H:14]([CH2:6][OH:46])[O:63][CH:35]([OH:62])[C@H:26]([OH:58])[C@H:25]4[OH:57])[C@@H:29]3[OH:61])[C@H:18]([N:42]=[C:10]([CH3:2])[OH:50])[C@H:23]2[OH:55])[C@@H:28]1[OH:60])[OH:49]
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:62504
chebi:62504
UTVHXMGRNOOVTB-IXBJWXGWSA-N 		beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp
(Gal)3 (Glc)1 (GlcNAc)2
Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc
WURCS=2.0/3,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1
beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose
para-Lacto-N-neohexaose

kegg.glycan:G06069
keggG:G06069 		para-Lacto-N-neohexaose

keggG:M_G06069 		secondary/obsolete/fantasy identifier