(Chol-P-GalNAc)-(Chol-P-GalNAc)-(Rib-ol)-P-Glc-AATGal-PP-undecaprenol

(Chol-P-GalNAc)-(Chol-P-GalNAc)-(Rib-ol)-P-Glc-AATGal-PP-undecaprenol




Chemical Formula:
C100H175N6O38P5
Molecular Weight:
2224.369 Daltons
Monoisotopic Mass:
2228.102512999 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)C)[N+])OC4(OC(COP(OCC(C(C(COC2(C(C(C(C(O2)COP(OCC[N+](C)(C)C)([O-])=O)O)OC3(C(C(C(C(O3)COP(OCC[N+](C)(C)C)([O-])=O)O)O)NC(C)=O))NC(C)=O))O)O)O)(=O)[O-])C(O)C(O)C(O)4))NC(C)=O))C)C)C)C)C)C)C
InChI:
1S/C100H177N6O38P5/c1-64(2)33-23-34-65(3)35-24-36-66(4)37-25-38-67(5)39-26-40-68(6)41-27-42-69(7)43-28-44-70(8)45-29-46-71(9)47-30-48-72(10)49-31-50-73(11)51-32-52-74(12)53-56-130-148(125,126)144-149(127,128)143-99-86(103-77(15)108)95(84(101)75(13)137-99)141-100-94(118)93(117)90(114)82(140-100)62-136-147(123,124)133-60-80(111)88(112)79(110)59-129-97-87(104-78(16)109)96(91(115)83(138-97)63-135-146(121,122)132-58-55-106(20,21)22)142-98-85(102-76(14)107)92(116)89(113)81(139-98)61-134-145(119,120)131-57-54-105(17,18)19/h33,35,37,39,41,43,45,47,49,51,53,75,79-100,110-118H,23-32,34,36,38,40,42,44,46,48,50,52,54-63,101H2,1-22H3,(H6-2,102,103,104,107,108,109,119,120,121,122,123,124,125,126,127,128)/p-2/b65-35+,66-37+,67-39-,68-41-,69-43-,70-45-,71-47-,72-49-,73-51-,74-53-/t75-,79+,80-,81-,82-,83-,84+,85-,86-,87-,88+,89+,90-,91+,92-,93+,94-,95+,96-,97-,98-,99+,100+/m1/s1
InChIKey:
QZQSZMDNWIMIJL-PSMXOYOXSA-L

Synonyms
  • [6-O-(choline-phospho)-N-acetyl-α-D-galactosaminyl]-(1→3)-[6-O-(choline-phospho)-N-acetyl-β-D-galactosaminyl]-[6-O-(phosphoribitol)]-β-D-glucosyl-(1→3)-2-acetamido-4-amino-2,4,6-trideoxy-β-D-galactosyl-diphospho-ditrans,octacis-undecaprenol

Databases
MetaCyc:  CPD-19328
PubChem (CID):  122706352
MetaNetX:  MNXM163975