β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl-(1→3)-N-acetyl-α-D-galactosaminyldiphospho-ditrans,octacis-undecaprenol

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:
C77H126N2O22P2
Molecular Weight:
1493.79 Daltons
Monoisotopic Mass:
1494.8433968254 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)OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(NC(=O)C)3))NC(C)=O))C)C)C)C)C)C)C
InChI:
1S/C77H128N2O22P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-94-102(90,91)101-103(92,93)100-76-67(79-62(14)84)74(70(87)65(49-82)96-76)98-75-66(78-61(13)83)73(69(86)64(48-81)95-75)99-77-72(89)71(88)68(85)63(47-80)97-77/h25,27,29,31,33,35,37,39,41,43,45,63-77,80-82,85-89H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,78,83)(H,79,84)(H,90,91)(H,92,93)/p-2/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77+/m1/s1
InChIKey:
DTHGKYAZBNWFMJ-RIJYEUHMSA-L

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

Databases
MetaCyc:  CPD-15432
PubChem (CID):  71581023
ChEBI:  73988
MetaNetX:  MNXM145756
KEGG:  C20622