N-Acetyl-D-galactosaminyldiphosphoundecaprenol

Molecular Formula: C₅₄H₈₇NO₁₂P₂

InChI: InChI=1/C54H87NO12P2/c1-38(2)15-14-16-39(3)17-18-40(4)19-20-41(5)21-22-42(6)23-24-43(7)25-26-44(8)27-28-45(9)29-30-46(10)31-32-47(11)33-34-48(12)35-36-64-68(60,61)67-69(62,63)66-54-51(55-49(13)57)53(59)52(58)50(37-56)65-54/h15,17,19,21,23,25,27,29,31,33,35,50-54,56,58-59H,14,16,18,20,22,24,26,28,30,32,34,36-37H2,1-13H3,(H,55,57)(H,60,61)(H,62,63)/b39-17+,40-19+,41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+/t50-,51-,52+,53-,54-/m1/s1/f/h55,60,62H

InChIKey: InChIKey=ZKFSHNSNRONOEA-ADFIZVHHDP
SMILES: CC(=CCCC(=CCC(=CCC(=CCC(=CCC(=CCC(=CCC(=CCC(=CCC(=CCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C)C)C)C)C)C)C)C

Names:
    C05845
    N-Acetyl-D-galactosaminyldiphosphoundecaprenol
    [(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[hydroxy-[(2E,5E,8E,11E,14E,17E,20E,23E,26E,29E)-3,6,9,12,15,18,21,24,27,30,34-undecamethylpentatriaconta-2,5,8,11,14,17,20,23,26,29,33-undecaenoxy]phosphoryl]oxy-phosphinic acid

Registries:
    PubChem CID 11953860
    PubChem ID 8138