β-D-glucuronosyl-(1→3)-N-acetyl-α-D-galactosaminyl-(1→6)-N-acetyl-α-D-galactosaminyl-diphospho-ditrans,octacis-undecaprenol

β-D-glucuronosyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-(1→6)-<i>N</i>-acetyl-α-D-galactosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C77H123N2O23P2
Molecular Weight:
1506.766 Daltons
Monoisotopic Mass:
1508.8226613833 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(OC1(C(C(C(C(O1)COC3(OC(CO)C(O)C(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))C(NC(=O)C)3))O)O)NC(C)=O))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C77H126N2O23P2/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)45-46-96-103(91,92)102-104(93,94)101-76-64(78-60(13)81)68(85)66(83)63(98-76)48-95-75-65(79-61(14)82)72(67(84)62(47-80)97-75)99-77-71(88)69(86)70(87)73(100-77)74(89)90/h25,27,29,31,33,35,37,39,41,43,45,62-73,75-77,80,83-88H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,78,81)(H,79,82)(H,89,90)(H,91,92)(H,93,94)/p-3/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-,72-,73+,75+,76-,77-/m1/s1
InChIKey:
JENBVMGOXAUBFJ-SMVSCTSASA-K

Synonyms
  • β-D-GlcA-(1→3)-α-D-GalNAc-(1→6)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol

Databases
MetaCyc:  CPD-19350
PubChem (CID):  122706074
MetaNetX:  MNXM164598