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

Chemical Formula:

C₈₂H₁₃₅N₃O₃₀P₄

Molecular Weight:

1766.866 Daltons

Monoisotopic Mass:

1769.8393861805 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)OC3(OC(CO)C(OP([O-])(=O)OCC(COP(OC2(C(C(C(C(O2)CO)O)O)NC(C)=O))([O-])=O)O)C(O)C(NC(=O)C)3))O)NC(C)=O))C)C)C)C)C)C)C

InChI:

1S/C82H139N3O30P4/c1-53(2)26-16-27-54(3)28-17-29-55(4)30-18-31-56(5)32-19-33-57(6)34-20-35-58(7)36-21-37-59(8)38-22-39-60(9)40-23-41-61(10)42-24-43-62(11)44-25-45-63(12)46-47-105-118(101,102)115-119(103,104)114-82-73(85-66(15)91)76(95)78(69(49-87)110-82)111-80-72(84-65(14)90)77(96)79(70(50-88)109-80)112-116(97,98)106-51-67(92)52-107-117(99,100)113-81-71(83-64(13)89)75(94)74(93)68(48-86)108-81/h26,28,30,32,34,36,38,40,42,44,46,67-82,86-88,92-96H,16-25,27,29,31,33,35,37,39,41,43,45,47-52H2,1-15H3,(H,83,89)(H,84,90)(H,85,91)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/p-4/b54-28+,55-30+,56-32-,57-34-,58-36-,59-38-,60-40-,61-42-,62-44-,63-46-/t67-,68+,69+,70+,71+,72-,73+,74-,75+,76+,77+,78?,79+,80-,81-,82+/m0/s1

InChIKey:

YDTFDEOTTACHLA-ASDKYVOASA-J

Synonyms

(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-19340

PubChem (CID): 122706622

MetaNetX: MNXM164785