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

PropertiesImage
MNX_IDMNXM43919 Image of MNXM43919
referencechebi:61851
formulaC32H55NO26
global charge0
mol weight869.773
InChIKeySOHDKALVEKZCCL-LEEOCJEISA-N
InChIInChI=1S/C32H55NO26/c1-7(38)33-13-17(42)26(58-32-22(47)19(44)15(40)9(3-35)54-32)12(56-29(13)59-27-16(41)10(4-36)52-28(50)24(27)49)6-51-30-23(48)20(45)25(11(5-37)55-30)57-31-21(46)18(43)14(39)8(2-34)53-31/h8-32,34-37,39-50H,2-6H2,1H3,(H,33,38)/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27+,28-,29+,30-,31+,32+/m1/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[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/C32H55NO26/c1-7(38)33-13-17(42)26(58-32-22(47)19(44)15(40)9(3-35)54-32)12(56-29(13)59-27-16(41)10(4-36)52-28(50)24(27)49)6-51-30-23(48)20(45)25(11(5-37)55-30)57-31-21(46)18(43)14(39)8(2-34)53-31/h8-32,34-37,39-50H,2-6H2,1H3,(H,33,38)/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27+,28-,29+,30-,31+,32+/m1/s1 Image of MNXM43919
SMILES (mnx)[CH3:1][C:7](=[N:33][C@@H:13]1[C@@H:17]([OH:42])[C@H:26]([O:58][C@H:32]2[C@H:22]([OH:47])[C@@H:19]([OH:44])[C@@H:15]([OH:40])[C@@H:9]([CH2:3][OH:35])[O:54]2)[C@@H:12]([CH2:6][O:51][C@H:30]2[C@H:23]([OH:48])[C@@H:20]([OH:45])[C@H:25]([O:57][C@H:31]3[C@H:21]([OH:46])[C@@H:18]([OH:43])[C@@H:14]([OH:39])[C@@H:8]([CH2:2][OH:34])[O:53]3)[C@@H:11]([CH2:5][OH:37])[O:55]2)[O:56][C@H:29]1[O:59][C@H:27]1[C@@H:16]([OH:41])[C@@H:10]([CH2:4][OH:36])[O:52][C@@H:28]([OH:50])[C@@H:24]1[OH:49])[OH:38]
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:61851
chebi:61851
SOHDKALVEKZCCL-LEEOCJEISA-N 		beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp
WURCS=2.0/3,5,4/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5]/1-2-1-3-1/a3-b1_b4-c1_b6-d1_d4-e1
beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranose

CHEBI:154777
chebi:154777
SOHDKALVEKZCCL-RPGPVHBWSA-N 		N-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide
Gal(b1-4)Glc(b1-6)[Gal(b1-4)]GlcNAc(b1-3)Gal
WURCS=2.0/4,5,4/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5]/1-2-3-4-3/a3-b1_b4-c1_b6-d1_d4-e1
beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranose