CMP-N-acetylneuraminate

Molecular Formula: C₂₀H₃₁N₄O₁₆P

InChI: InChI=1/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9?,10+,12+,13-,14+,15+,16+,17+,20+/m0/s1/f/h22,32,35H,21H2

InChIKey: InChIKey=TXCIAUNLDRJGJZ-XYSYZWRCDG
SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O

Names:
    CHEBI:16556
    CMP-beta-Neu5Ac
    CMP-N-acetylneuraminate
    cytidine 5'-(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate)
    (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-6-[(1S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Registries:
    PubChem CID 439172
    PubChem ID 8145541