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

<i>N</i>-acetyl-α-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyldiphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C71H116N2O17P2
Molecular Weight:
1331.648 Daltons
Monoisotopic Mass:
1332.7905733939 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)OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))NC(C)=O))C)C)C)C)C)C)C
InChI:
1S/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)69(67(79)63(48-75)87-71)88-70-64(72-60(13)76)68(80)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74-75,78-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,76)(H,73,77)(H,81,82)(H,83,84)/p-2/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64-,65-,66+,67+,68-,69-,70-,71-/m1/s1
InChIKey:
SGCLPRBYAHBRPD-QOZJJACASA-L

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

Databases
MetaCyc:  CPD-15431
PubChem (CID):  71581108
ChEBI:  73987
MetaNetX:  MNXM145754
KEGG:  C20621