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

PropertiesImage
MNX_IDMNXM41378 Image of MNXM41378
referencechebi:62538
formulaC34H58N2O25
global charge0
mol weight894.827
InChIKeyYEYPXZQMQINOQF-NPQGYORFSA-N
InChIInChI=1S/C34H58N2O25/c1-8-17(43)23(49)24(50)33(53-8)61-29-28(60-31-15(35-9(2)41)21(47)18(44)11(4-37)55-31)20(46)13(6-39)56-34(29)58-26-14(7-40)57-32(16(22(26)48)36-10(3)42)59-27-19(45)12(5-38)54-30(52)25(27)51/h8,11-34,37-40,43-52H,4-7H2,1-3H3,(H,35,41)(H,36,42)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-/m0/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](O[C@@H]2O[C@H](CO)[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]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C34H58N2O25/c1-8-17(43)23(49)24(50)33(53-8)61-29-28(60-31-15(35-9(2)41)21(47)18(44)11(4-37)55-31)20(46)13(6-39)56-34(29)58-26-14(7-40)57-32(16(22(26)48)36-10(3)42)59-27-19(45)12(5-38)54-30(52)25(27)51/h8,11-34,37-40,43-52H,4-7H2,1-3H3,(H,35,41)(H,36,42)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-/m0/s1 Image of MNXM41378
SMILES (mnx)[CH3:1][C@H:8]1[C@@H:17]([OH:43])[C@@H:23]([OH:49])[C@H:24]([OH:50])[C@H:33]([O:61][C@@H:29]2[C@@H:28]([O:60][C@@H:31]3[C@H:15]([N:35]=[C:9]([CH3:2])[OH:41])[C@@H:21]([OH:47])[C@@H:18]([OH:44])[C@@H:11]([CH2:4][OH:37])[O:55]3)[C@@H:20]([OH:46])[C@@H:13]([CH2:6][OH:39])[O:56][C@H:34]2[O:58][C@@H:26]2[C@@H:14]([CH2:7][OH:40])[O:57][C@@H:32]([O:59][C@H:27]3[C@@H:19]([OH:45])[C@@H:12]([CH2:5][OH:38])[O:54][C@@H:30]([OH:52])[C@@H:25]3[OH:51])[C@H:16]([N:36]=[C:10]([CH3:3])[OH:42])[C@H:22]2[OH:48])[O:53]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:62538
chebi:62538
YEYPXZQMQINOQF-NPQGYORFSA-N 		alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranose
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranose
Fucalpha1->2(GalNAcalpha1->3)Galbeta1->4GlcNAcbeta1->3D-Galbeta
alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal
alpha-L-fucosyl-(1->2)-[N-acetyl-alpha-D-galactosaminyl-(1->3)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galctose

CHEBI:157122
chebi:157122
YEYPXZQMQINOQF-VCHFLOKZSA-N 		N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranose
Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)Gal
WURCS=2.0/5,5,4/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_b4-c1_c2-d1_c3-e1