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alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-Glcp

PropertiesImage
MNX_IDMNXM41120 Image of MNXM41120
referencechebi:62364
formulaC26H45NO20
global charge0
mol weight691.633
InChIKeyDKMKTGYNNHUIAK-JLWVKAFHSA-N
InChIInChI=1S/C26H45NO20/c1-6-12(32)16(36)19(39)25(41-6)47-22-21(46-24-11(27-7(2)31)15(35)13(33)8(3-28)43-24)14(34)9(4-29)44-26(22)45-20-10(5-30)42-23(40)18(38)17(20)37/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25-,26-/m0/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](O)[C@H](O)O[C@@H]3CO)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C26H45NO20/c1-6-12(32)16(36)19(39)25(41-6)47-22-21(46-24-11(27-7(2)31)15(35)13(33)8(3-28)43-24)14(34)9(4-29)44-26(22)45-20-10(5-30)42-23(40)18(38)17(20)37/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25-,26-/m0/s1 Image of MNXM41120
SMILES (mnx)[CH3:1][C@H:6]1[C@@H:12]([OH:32])[C@@H:16]([OH:36])[C@H:19]([OH:39])[C@H:25]([O:47][C@@H:22]2[C@@H:21]([O:46][C@@H:24]3[C@H:11]([N:27]=[C:7]([CH3:2])[OH:31])[C@@H:15]([OH:35])[C@@H:13]([OH:33])[C@@H:8]([CH2:3][OH:28])[O:43]3)[C@@H:14]([OH:34])[C@@H:9]([CH2:4][OH:29])[O:44][C@H:26]2[O:45][C@@H:20]2[C@@H:10]([CH2:5][OH:30])[O:42][C@@H:23]([OH:40])[C@H:18]([OH:38])[C@H:17]2[OH:37])[O:41]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:62364
chebi:62364
DKMKTGYNNHUIAK-JLWVKAFHSA-N 		alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-Glcp
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
GalNAca1-3(Fuca1-2)Galb1-4Glcb
GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta
N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-beta-D-glucose
O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b2-c1_b3-d1
alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-Glc
beta-D-glucopyranose, O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-O-beta-D-galactopyranosyl-(1->4)-

CHEBI:148378
chebi:148378
DKMKTGYNNHUIAK-ZPVIUAQLSA-N 		N-[(3R,4R,5R,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
Fuc(a1-2)[GalNAc(?1-3)]Gal(b1-4)Glc
WURCS=2.0/4,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1x_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b2-c1_b3-d1

CHEBI:154818
chebi:154818
DKMKTGYNNHUIAK-CLMJVAKOSA-N 		alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-D-Glcp
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)Glc
GalNAca1-3(Fuca1-2)Galb1-4Glc
GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4Glc
N-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-D-glucose
WURCS=2.0/4,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b2-c1_b3-d1
alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-D-Glc