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

PropertiesImage
MNX_IDMNXM103147 Image of MNXM103147
referencechebi:71342
formulaC30H51N3O21
global charge0
mol weight789.738
InChIKeyNTQYKWMQLCGKKJ-OVCREZTJSA-N
InChIInChI=1S/C30H51N3O21/c1-8(37)31-15-23(45)25(13(6-36)49-27(15)47)53-30-24(46)26(54-29-17(33-10(3)39)22(44)19(41)12(5-35)51-29)20(42)14(52-30)7-48-28-16(32-9(2)38)21(43)18(40)11(4-34)50-28/h11-30,34-36,40-47H,4-7H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C30H51N3O21/c1-8(37)31-15-23(45)25(13(6-36)49-27(15)47)53-30-24(46)26(54-29-17(33-10(3)39)22(44)19(41)12(5-35)51-29)20(42)14(52-30)7-48-28-16(32-9(2)38)21(43)18(40)11(4-34)50-28/h11-30,34-36,40-47H,4-7H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+/m1/s1 Image of MNXM103147
SMILES (mnx)[CH3:1][C:8](=[N:31][C@@H:15]1[C@@H:23]([OH:45])[C@H:25]([O:53][C@H:30]2[C@H:24]([OH:46])[C@@H:26]([O:54][C@H:29]3[C@H:17]([N:33]=[C:10]([CH3:3])[OH:39])[C@@H:22]([OH:44])[C@H:19]([OH:41])[C@@H:12]([CH2:5][OH:35])[O:51]3)[C@@H:20]([OH:42])[C@@H:14]([CH2:7][O:48][C@H:28]3[C@H:16]([N:32]=[C:9]([CH3:2])[OH:38])[C@@H:21]([OH:43])[C@H:18]([OH:40])[C@@H:11]([CH2:4][OH:34])[O:50]3)[O:52]2)[C@@H:13]([CH2:6][OH:36])[O:49][C@H:27]1[OH:47])[OH:37]
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:71342
chebi:71342
NTQYKWMQLCGKKJ-OVCREZTJSA-N 		beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
GlcNAcb1-6(GlcNAcb1-3)Galb1-4GlcNAcb
GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta
N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
WURCS=2.0/2,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-1-1/a4-b1_b3-c1_b6-d1
beta-D-GlcNAc-(1->3)-[beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc
beta-D-glucopyranose, O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-

CHEBI:151724
chebi:151724
NTQYKWMQLCGKKJ-GDEGSSRJSA-N 		N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose
GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)GlcNAc
WURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3/a4-b1_b3-c1_b6-d1