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

Chemical Formula:

C₈₈H₁₄₅N₃O₃₅P₄

Molecular Weight:

1929.008 Daltons

Monoisotopic Mass:

1931.892209612 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)OC4(OC(CO)C(OP([O-])(=O)OCC(COP(OC2(C(C(C(O)C(O2)CO)OC3(OC(CO)C(O)C(O)C(O)3))NC(C)=O))([O-])=O)O)C(O)C(NC(=O)C)4))O)NC(C)=O))C)C)C)C)C)C)C

InChI:

1S/C88H149N3O35P4/c1-54(2)26-16-27-55(3)28-17-29-56(4)30-18-31-57(5)32-19-33-58(6)34-20-35-59(7)36-21-37-60(8)38-22-39-61(9)40-23-41-62(10)42-24-43-63(11)44-25-45-64(12)46-47-114-129(110,111)126-130(112,113)125-86-74(90-66(14)97)78(102)82(71(50-94)120-86)121-85-73(89-65(13)96)79(103)83(72(51-95)119-85)123-127(106,107)115-52-68(99)53-116-128(108,109)124-87-75(91-67(15)98)84(77(101)70(49-93)117-87)122-88-81(105)80(104)76(100)69(48-92)118-88/h26,28,30,32,34,36,38,40,42,44,46,68-88,92-95,99-105H,16-25,27,29,31,33,35,37,39,41,43,45,47-53H2,1-15H3,(H,89,96)(H,90,97)(H,91,98)(H,106,107)(H,108,109)(H,110,111)(H,112,113)/p-4/b55-28+,56-30+,57-32-,58-34-,59-36-,60-38-,61-40-,62-42-,63-44-,64-46-/t68-,69+,70+,71+,72+,73-,74+,75+,76+,77-,78+,79+,80-,81+,82?,83+,84+,85-,86+,87-,88-/m0/s1

InChIKey:

VAOCQQMTZXPKHS-VVYKKIMRSA-J

Synonyms

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-19341

PubChem (CID): 122706078

MetaNetX: MNXM164799