Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM102514 Image of MNXM102514
referencechebi:68435
formulaC28H48N2O20
global charge0
mol weight732.686
InChIKeyCAORXBKGDBVZIL-AYCJKDCZSA-N
InChIInChI=1S/C28H48N2O20/c1-7-15(36)19(40)20(41)27(44-7)50-24-21(42)23(48-26-14(30-9(3)35)17(38)16(37)10(4-31)46-26)12(6-33)47-28(24)49-22-11(5-32)45-25(43)13(18(22)39)29-8(2)34/h7,10-28,31-33,36-43H,4-6H2,1-3H3,(H,29,34)(H,30,35)/t7-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+,25+,26+,27-,28-/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C28H48N2O20/c1-7-15(36)19(40)20(41)27(44-7)50-24-21(42)23(48-26-14(30-9(3)35)17(38)16(37)10(4-31)46-26)12(6-33)47-28(24)49-22-11(5-32)45-25(43)13(18(22)39)29-8(2)34/h7,10-28,31-33,36-43H,4-6H2,1-3H3,(H,29,34)(H,30,35)/t7-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+,25+,26+,27-,28-/m0/s1 Image of MNXM102514
SMILES (mnx)[CH3:1][C@H:7]1[C@@H:15]([OH:36])[C@@H:19]([OH:40])[C@H:20]([OH:41])[C@H:27]([O:50][C@@H:24]2[C@@H:21]([OH:42])[C@@H:23]([O:48][C@@H:26]3[C@H:14]([N:30]=[C:9]([CH3:3])[OH:35])[C@@H:17]([OH:38])[C@@H:16]([OH:37])[C@@H:10]([CH2:4][OH:31])[O:46]3)[C@@H:12]([CH2:6][OH:33])[O:47][C@H:28]2[O:49][C@@H:22]2[C@@H:11]([CH2:5][OH:32])[O:45][C@@H:25]([OH:43])[C@H:13]([N:29]=[C:8]([CH3:2])[OH:34])[C@H:18]2[OH:39])[O:44]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:68435
chebi:68435
CAORXBKGDBVZIL-AYCJKDCZSA-N 		alpha-D-GalpNAc-(1->4)-[alpha-D-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
GalNAca1-4(Fuca1-2)Galb1-4GlcNAcb
GalNAcalpha1-4(Fucalpha1-2)Galbeta1-4GlcNAcbeta
N-acetyl-alpha-D-galactosaminyl-(1->4)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
WURCS=2.0/4,4,3/[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/a4-b1_b2-c1_b4-d1
alpha-D-GalNAc-(1->4)-[alpha-D-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc
beta-D-glucopyranose, O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-