ManNAc-GlcNAc-PP-undecaprenol

Chemical Formula:

C₇₁H₁₁₆N₂O₁₇P₂

Molecular Weight:

1331.648 Daltons

Monoisotopic Mass:

1332.7905733939 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)OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))O)NC(C)=O))C)C)C)C)C)C)C

InChI:

1S/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)68(80)69(63(48-75)87-71)88-70-64(72-60(13)76)67(79)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74-75,78-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,76)(H,73,77)(H,81,82)(H,83,84)/p-2/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64+,65-,66-,67-,68-,69-,70+,71-/m1/s1

InChIKey:

CALMUTCFVFZDOC-BHUBDZAQSA-L

Synonyms

N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol

Databases

MetaCyc: ACETYL-ETCETERA-GLUCOSAMINYLDIPHOSPHOUND

ChEBI: 132210

PubChem (CID): 121225527

KEGG: C04881

Seed: cpd02967

MetaNetX: MNXM2843