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

PropertiesImage
MNX_IDMNXM102565 Image of MNXM102565
referencechebi:65245
formulaC38H65NO30
global charge0
mol weight1015.915
InChIKeyGTDZRNBIPFWIHJ-RWQPMTCSSA-N
InChIInChI=1S/C38H65NO30/c1-8-16(46)20(50)25(55)35(59-8)69-32-21(51)17(47)10(3-40)63-38(32)67-30-15(39-9(2)45)34(61-11(4-41)18(30)48)68-31-19(49)12(5-42)62-37(27(31)57)66-29-14(7-44)64-36(26(56)23(29)53)65-28-13(6-43)60-33(58)24(54)22(28)52/h8,10-38,40-44,46-58H,3-7H2,1-2H3,(H,39,45)/t8-,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30+,31-,32+,33+,34-,35-,36-,37+,38-/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[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C38H65NO30/c1-8-16(46)20(50)25(55)35(59-8)69-32-21(51)17(47)10(3-40)63-38(32)67-30-15(39-9(2)45)34(61-11(4-41)18(30)48)68-31-19(49)12(5-42)62-37(27(31)57)66-29-14(7-44)64-36(26(56)23(29)53)65-28-13(6-43)60-33(58)24(54)22(28)52/h8,10-38,40-44,46-58H,3-7H2,1-2H3,(H,39,45)/t8-,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30+,31-,32+,33+,34-,35-,36-,37+,38-/m0/s1 Image of MNXM102565
SMILES (mnx)[CH3:1][C@H:8]1[C@@H:16]([OH:46])[C@@H:20]([OH:50])[C@H:25]([OH:55])[C@H:35]([O:69][C@@H:32]2[C@@H:21]([OH:51])[C@@H:17]([OH:47])[C@@H:10]([CH2:3][OH:40])[O:63][C@H:38]2[O:67][C@@H:30]2[C@@H:15]([N:39]=[C:9]([CH3:2])[OH:45])[C@H:34]([O:68][C@H:31]3[C@@H:19]([OH:49])[C@@H:12]([CH2:5][OH:42])[O:62][C@H:37]([O:66][C@H:29]4[C@@H:14]([CH2:7][OH:44])[O:64][C@@H:36]([O:65][C@@H:28]5[C@@H:13]([CH2:6][OH:43])[O:60][C@@H:33]([OH:58])[C@H:24]([OH:54])[C@H:22]5[OH:52])[C@H:26]([OH:56])[C@H:23]4[OH:53])[C@@H:27]3[OH:57])[O:61][C@H:11]([CH2:4][OH:41])[C@@H:18]2[OH:48])[O:59]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:65245
chebi:65245
GTDZRNBIPFWIHJ-RWQPMTCSSA-N 		alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp
6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranose
Fuca1-2Galb1-3GalNAcb1-3Gala1-4Galb1-4Glcb
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4beta1-4Glcbeta
O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->3)-O-alpha-D-galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
WURCS=2.0/5,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5/a4-b1_b4-c1_c3-d1_d3-e1_e2-f1
alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-alpha-D-Gal-(1->4)-alpha-D-Glc
alpha-L-Fucp-(1-2)-beta-D-Galp-(1-3)-beta-D-GalpNAc-(1-3)-alpha-D-Galp-(1-4)-beta-D-Galp-(1-4)-beta-D-Glcp
alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose
alphaFuc(1-2)betaGal(1-3)betaGalNAc(1-3)alphaGal(1-4)betaGal(1-4)betaGlc
beta-D-glucopyranose, O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->3)-O-alpha-D-galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->4)-

CHEBI:154539
chebi:154539
GTDZRNBIPFWIHJ-SYKHNVLKSA-N 		N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
Fuc(a1-2)Gal(b1-3)GalNAc(b1-3)Gal(a1-4)Gal(b1-4)Glc
WURCS=2.0/5,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5/a4-b1_b4-c1_c3-d1_d3-e1_e2-f1