α-D-galactosyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl-(1→3)-N-acetyl-α-D-galactosaminyldiphospho-ditrans,octacis-undecaprenol

α-D-galactosyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyldiphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C89H146N2O31P2
Molecular Weight:
1802.075 Daltons
Monoisotopic Mass:
1802.9541290663 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)O)OC5(OC(CO)C(O)C(OC4(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(OC3(OC(C)C(O)C(O)C(O)3))4))C(NC(=O)C)5))NC(C)=O))C)C)C)C)C)C)C
InChI:
1S/C89H148N2O31P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-111-123(107,108)122-124(109,110)121-86-71(91-65(15)97)82(75(101)68(50-94)114-86)117-85-70(90-64(14)96)81(74(100)67(49-93)113-85)118-89-84(120-87-79(105)77(103)72(98)63(13)112-87)83(76(102)69(51-95)116-89)119-88-80(106)78(104)73(99)66(48-92)115-88/h26,28,30,32,34,36,38,40,42,44,46,63,66-89,92-95,98-106H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,90,96)(H,91,97)(H,107,108)(H,109,110)/p-2/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77+,78-,79-,80+,81+,82+,83-,84+,85+,86+,87-,88+,89-/m0/s1
InChIKey:
UQYSJTDLRLYPNU-OOXGFABVSA-L

Synonyms
  • α-D-Gal-(1→3)-(α-L-Fuc-(1→2))-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol

Databases
MetaCyc:  CPD-15434
PubChem (CID):  71581029
ChEBI:  73993
MetaNetX:  MNXM146362
KEGG:  C20626