CMP-N-glycoloyl-β-neuraminate

Chemical Formula:

C₂₀H₂₉N₄O₁₇P

Molecular Weight:

628.439 Daltons

Monoisotopic Mass:

630.1421821016 Daltons

SMILES:

C(O)C(O)C(O)[CH]3(OC(C(=O)[O-])(OP(=O)([O-])OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))CC(O)C(NC(CO)=O)3)

InChI:

1S/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)/p-2/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1

InChIKey:

HOEWKBQADMRCLO-UIUGZIMDSA-L

Synonyms

CMP-N-glycolyl-β-neuraminate

Databases

MetaCyc: CPD-262

PubChem (CID): 49852311

MetaboLights: MTBLC58376

HMDB: HMDB12206

ChEBI: 58376

KEGG: C03691

Seed: cpd02319

MetaNetX: MNXM3240