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alpha-L-Fucp-(1->4)-[beta-D-Galp2Me-(1->3)]-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM1112618 Image of MNXM1112618
referencechebi:146550
formulaC21H37NO15
global charge0
mol weight543.519
InChIKeyPJQKXPSIQDMAFM-PQEMEVISSA-N
InChIInChI=1S/C21H37NO15/c1-6-11(26)13(28)15(30)20(33-6)36-16-9(5-24)34-19(31)10(22-7(2)25)17(16)37-21-18(32-3)14(29)12(27)8(4-23)35-21/h6,8-21,23-24,26-31H,4-5H2,1-3H3,(H,22,25)/t6-,8+,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19+,20-,21-/m0/s1
SMILESCO[C@H]1[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[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/C21H37NO15/c1-6-11(26)13(28)15(30)20(33-6)36-16-9(5-24)34-19(31)10(22-7(2)25)17(16)37-21-18(32-3)14(29)12(27)8(4-23)35-21/h6,8-21,23-24,26-31H,4-5H2,1-3H3,(H,22,25)/t6-,8+,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19+,20-,21-/m0/s1 Image of MNXM1112618
SMILES (mnx)[CH3:1][C@H:6]1[C@@H:11]([OH:26])[C@@H:13]([OH:28])[C@H:15]([OH:30])[C@H:20]([O:36][C@@H:16]2[C@@H:9]([CH2:5][OH:24])[O:34][C@@H:19]([OH:31])[C@H:10]([N:22]=[C:7]([CH3:2])[OH:25])[C@H:17]2[O:37][C@H:21]2[C@H:18]([O:32][CH3:3])[C@@H:14]([OH:29])[C@@H:12]([OH:27])[C@@H:8]([CH2:4][OH:23])[O:35]2)[O:33]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:146550
chebi:146550
PJQKXPSIQDMAFM-PQEMEVISSA-N 		alpha-L-Fucp-(1->4)-[beta-D-Galp2Me-(1->3)]-beta-D-GlcpNAc
2-O-methyl-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
6-deoxy-alpha-L-galactopyranosyl-(1->4)-[2-O-methyl-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose
Gal2Me(b1-3)[Fuc(a1-4)]b-GlcNAc
N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*OC][a1221m-1a_1-5]/1-2-3/a3-b1_a4-c1
alpha-L-fucopyranosyl-(1->4)-[2-O-methyl-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose

CHEBI:150049
chebi:150049
PJQKXPSIQDMAFM-QQRNEDTNSA-N 		N-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
2-O-methyl-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
Gal2Me(b1-3)[Fuc(a1-4)]GlcNAc
WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_2*OC][a1221m-1a_1-5]/1-2-3/a3-b1_a4-c1