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CHEBI:53501 - D-GalNAc-(1→3)-D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc-(1→3)-[L-Fuc-(1→6)]-D-GalNAc-ol

ChEBI IDCHEBI:53501
ChEBI NameD-GalNAc-(1→3)-D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc-(1→3)-[L-Fuc-(1→6)]-D-GalNAc-ol
Stars
ASCII NameD-GalNAc-(1->3)-D-GalNAc-(1->3)-[D-GalNAc-(1->2)-L-Fuc-(1->4)]-D-GlcNAc-(1->3)-[L-Fuc-(1->6)]-D-GalNAc-ol
DefinitionAn oligosaccharide derivative consisting of -D-GalNAc-ol at the reducing end with a D-GalNAc-(1→3)-D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc moiety attached via a (1→3)-linkage and a L-Fuc residue attached via a (1→6)-linkage.
Last Modified13 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC52H89N5O34
Net Charge0
Average Mass1328.285
Monoisotopic Mass1327.53889
SMILESCC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2NC(C)=O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)COC1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C52H89N5O34/c1-14-31(69)39(77)41(79)51(81-14)80-13-22(68)33(71)42(21(8-58)53-16(3)63)87-50-30(57-20(7)67)45(90-49-29(56-19(6)66)44(36(74)25(11-61)85-49)89-47-27(54-17(4)64)37(75)34(72)23(9-59)83-47)43(26(12-62)86-50)88-52-46(40(78)32(70)15(2)82-52)91-48-28(55-18(5)65)38(76)35(73)24(10-60)84-48/h14-15,21-52,58-62,68-79H,8-13H2,1-7H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)/t14-,15-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42+,43+,44+,45+,46-,47?,48?,49?,50?,51?,52?/m0/s1
InChIKeyCIHPFIYIIHMXNU-BODOAIGJSA-N
ChEBI Ontology
Outgoing Relation(s)
D-GalNAc-(1→3)-D-GalNAc-(1→3)-[D-GalNAc-(1→2)-L-Fuc-(1→4)]-D-GlcNAc-(1→3)-[L-Fuc-(1→6)]-D-GalNAc-ol (CHEBI:53501) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
2-acetamido-2-deoxy-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactopyranosyl-(1→3)-[2-acetamido-2-deoxy-D-galactopyranosyl-(1→2)-6-deoxy-L-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-D-glucopyranosyl-(1→3)-[6-deoxy-L-galactopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-galactitol
Synonyms  Source
HPG-Beta2-N8ChEBI
D-GalpNAc-(1→3)-D-GalpNAc-(1→3)-[D-GalpNAc-(1→2)-L-Fucp-(1→4)]-D-GlcpNAc-(1→3)-[L-Fucp-(1→6)]-D-GalNAc-olJCBN
N-acetyl-D-galactosaminyl-(1→3)-N-acetyl-D-galactosaminyl-(1→3)-[N-acetyl-D-galactosaminyl-(1→2)-L-fucosyl-(1→4)]-N-acetyl-D-glucosaminyl-(1→3)-[L-fucosyl-(1→6)]-N-acetyl-D-galactosaminitolChEBI
Citations