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alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp

PropertiesImage
MNX_IDMNXM102595 Image of MNXM102595
referencechebi:71640
formulaC37H62N2O28
global charge0
mol weight982.889
InChIKeySWAWMHSLSQQQDS-MHUKQXSYSA-N
InChIInChI=1S/C37H62N2O28/c1-9-19(48)23(52)24(53)34(59-9)64-29-18(39-11(3)45)33(65-30-21(50)14(6-41)60-32(56)25(30)54)62-16(8-43)27(29)63-35-26(55)31(22(51)15(7-42)61-35)67-37(36(57)58)4-12(46)17(38-10(2)44)28(66-37)20(49)13(47)5-40/h9,12-35,40-43,46-56H,4-8H2,1-3H3,(H,38,44)(H,39,45)(H,57,58)/t9-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27+,28+,29+,30-,31-,32+,33-,34-,35-,37-/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@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C37H62N2O28/c1-9-19(48)23(52)24(53)34(59-9)64-29-18(39-11(3)45)33(65-30-21(50)14(6-41)60-32(56)25(30)54)62-16(8-43)27(29)63-35-26(55)31(22(51)15(7-42)61-35)67-37(36(57)58)4-12(46)17(38-10(2)44)28(66-37)20(49)13(47)5-40/h9,12-35,40-43,46-56H,4-8H2,1-3H3,(H,38,44)(H,39,45)(H,57,58)/t9-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27+,28+,29+,30-,31-,32+,33-,34-,35-,37-/m0/s1 Image of MNXM102595
SMILES (mnx)[CH3:1][C@H:9]1[C@@H:19]([OH:48])[C@@H:23]([OH:52])[C@H:24]([OH:53])[C@H:34]([O:64][C@@H:29]2[C@@H:18]([N:39]=[C:11]([CH3:3])[OH:45])[C@H:33]([O:65][C@H:30]3[C@@H:21]([OH:50])[C@@H:14]([CH2:6][OH:41])[O:60][C@@H:32]([OH:56])[C@@H:25]3[OH:54])[O:62][C@H:16]([CH2:8][OH:43])[C@H:27]2[O:63][C@H:35]2[C@H:26]([OH:55])[C@@H:31]([O:67][C@:37]3([C:36](=[O:57])[OH:58])[CH2:4][C@H:12]([OH:46])[C@@H:17]([N:38]=[C:10]([CH3:2])[OH:44])[C@H:28]([C@@H:20]([C@@H:13]([CH2:5][OH:40])[OH:47])[OH:49])[O:66]3)[C@@H:22]([OH:51])[C@@H:15]([CH2:7][OH:42])[O:61]2)[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:71640
chebi:71640
SWAWMHSLSQQQDS-MHUKQXSYSA-N 		alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranose
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranose
Neu5Aca2-3Galb1-4(Fuca1-3)GlcNAcb1-3Galb
Neu5Acalpha2-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta
O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranose
WURCS=2.0/4,5,4/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-1-4/a3-b1_b3-c1_b4-d1_d3-e2
alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactose
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal
beta-D-galactopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-

CHEBI:155787
chebi:155787
SWAWMHSLSQQQDS-VPTQWTQUSA-N 		(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranose
NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal
WURCS=2.0/5,5,4/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5/a3-b1_b3-c1_b4-d1_d3-e2