CMP-N-glycolylneuraminate

Molecular Formula: C₂₀H₃₁N₄O₁₇P

InChI: InChI=1/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/t7-,8?,9+,12+,13-,14+,15+,16+,17+,20+/m0/s1/f/h23,33,36H,21H2

InChIKey: InChIKey=HOEWKBQADMRCLO-YMHTUSNCDM
SMILES: C1C(C(C(OC1(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)C(C(CO)O)O)NC(=O)CO)O

Names:
    CHEBI:18098
    CMP-NeuNGc
    CMP-N-glycoloylneuraminate
    CMP-N-glycolylneuraminate
    cytidine 5'-[3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate]
    (2R,4S,5R,6R)-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-5-[(2-hydroxyacetyl)amino]-6-[(1S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Registries:
    PubChem CID 5460377
    PubChem ID 8145599