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

Chemical Formula:

C₉₆H₁₅₈N₄O₄₃P₅

Molecular Weight:

2211.174 Daltons

Monoisotopic Mass:

2214.9379125534 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)OC5(OC(CO)C(OP([O-])(=O)OCC(COP(OC2(C(C(C(O)C(O2)CO)OC4(OC(COP(OC3(C(C(C(O)C(O3)CO)O)NC(C)=O))([O-])=O)C(O)C(O)C(O)4))NC(C)=O))([O-])=O)O)C(O)C(NC(=O)C)5))O)NC(C)=O))C)C)C)C)C)C)C

InChI:

1S/C96H163N4O43P5/c1-56(2)27-17-28-57(3)29-18-30-58(4)31-19-32-59(5)33-20-34-60(6)35-21-36-61(7)37-22-38-62(8)39-23-40-63(9)41-24-42-64(10)43-25-44-65(11)45-26-46-66(12)47-48-128-147(124,125)143-148(126,127)142-94-79(99-69(15)107)85(114)89(74(51-103)135-94)137-92-78(98-68(14)106)86(115)90(75(52-104)134-92)139-144(118,119)129-53-71(109)54-130-145(120,121)141-95-80(100-70(16)108)91(83(112)73(50-102)133-95)138-96-88(117)87(116)82(111)76(136-96)55-131-146(122,123)140-93-77(97-67(13)105)84(113)81(110)72(49-101)132-93/h27,29,31,33,35,37,39,41,43,45,47,71-96,101-104,109-117H,17-26,28,30,32,34,36,38,40,42,44,46,48-55H2,1-16H3,(H,97,105)(H,98,106)(H,99,107)(H,100,108)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)/p-5/b57-29+,58-31+,59-33-,60-35-,61-37-,62-39-,63-41-,64-43-,65-45-,66-47-/t71-,72+,73+,74+,75+,76+,77+,78-,79+,80+,81-,82+,83-,84+,85+,86+,87-,88+,89?,90+,91+,92-,93-,94+,95-,96-/m0/s1

InChIKey:

TYMKFVFBSXXMFU-RJNRLDLZSA-I

Synonyms

(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-19342

PubChem (CID): 122706445

MetaNetX: MNXM164784