Glc-GalNAc-P-Glc-GalNAc-P-Gro-P-ManNAc-GlcNAc-PP-undecaprenol

Chemical Formula:

C₁₀₂H₁₆₈N₄O₄₈P₅

Molecular Weight:

2373.316 Daltons

Monoisotopic Mass:

2376.9907359849 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)OC6(OC(CO)C(OP([O-])(=O)OCC(COP(OC2(C(C(C(O)C(O2)CO)OC5(OC(COP(OC3(C(C(C(O)C(O3)CO)OC4(OC(CO)C(O)C(O)C(O)4))NC(C)=O))([O-])=O)C(O)C(O)C(O)5))NC(C)=O))([O-])=O)O)C(O)C(NC(=O)C)6))O)NC(C)=O))C)C)C)C)C)C)C

InChI:

1S/C102H173N4O48P5/c1-57(2)27-17-28-58(3)29-18-30-59(4)31-19-32-60(5)33-20-34-61(6)35-21-36-62(7)37-22-38-63(8)39-23-40-64(9)41-24-42-65(10)43-25-44-66(11)45-26-46-67(12)47-48-137-158(133,134)154-159(135,136)153-98-80(104-69(14)113)87(121)93(76(52-110)145-98)147-97-79(103-68(13)112)88(122)94(77(53-111)144-97)150-155(127,128)138-54-72(116)55-139-156(129,130)151-99-82(106-71(16)115)96(86(120)75(51-109)141-99)149-102-92(126)90(124)84(118)78(146-102)56-140-157(131,132)152-100-81(105-70(15)114)95(85(119)74(50-108)142-100)148-101-91(125)89(123)83(117)73(49-107)143-101/h27,29,31,33,35,37,39,41,43,45,47,72-102,107-111,116-126H,17-26,28,30,32,34,36,38,40,42,44,46,48-56H2,1-16H3,(H,103,112)(H,104,113)(H,105,114)(H,106,115)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)/p-5/b58-29+,59-31+,60-33-,61-35-,62-37-,63-39-,64-41-,65-43-,66-45-,67-47-/t72-,73+,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84+,85-,86-,87+,88+,89-,90-,91+,92+,93?,94+,95+,96+,97-,98+,99-,100-,101-,102-/m0/s1

InChIKey:

ALVUBZUFDVALLP-ROIUSTHESA-I

Synonyms

β-D-glucosyl-(1→3)-(1-O-phosphoryl-N-acetyl-β-D-galactosaminyl)-(1→6)-β-D-glucosyl-(1→3)-(1-O-phosphoryl-N-acetyl-β-D-galactosaminyl)-sn-glycerophospho-4-O-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol

Databases

MetaCyc: CPD-19343

PubChem (CID): 122706329

MetaNetX: MNXM167803