lipid III

Molecular Formula: C₇₉H₁₂₉N₃O₂₂P₂

InChI: InChI=1/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/f/h80-82,91,93,95H

InChIKey: InChIKey=PSONHUYFSWYIME-QTYYNTTNCW
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2C(=O)O)OC3C(OC(C(C3O)NC(=O)C)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CO)NC(=O)C)O)O)O)NC(=O)C

Names:
    C55-PP-GlcNAc-ManNAcA-Fuc4NAc
    lipid III
    ManNAcA-GlcNAc-Fuc4NAc-PP-lipid
    ManNAcA-GlcNAc-Fuc4NAc-pyrophosphorylundecaprenol
    undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate
    5-acetamido-3-(5-acetamido-3,4-dihydroxy-6-methyl-oxan-2-yl)oxy-6-[5-acetamido-4-hydroxy-6-[hydroxy-(hydroxy-(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl)oxy-phosphoryl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-oxane-2-carboxylic acid

Registries:
    PubChem CID 656439
    PubChem ID 2190