CMP-N-acetyl-7-O-acetyl-β-neuraminate

CMP-<i>N</i>-acetyl-7-<i>O</i>-acetyl-β-neuraminate




Chemical Formula:
C22H31N4O17P
Molecular Weight:
654.477 Daltons
Monoisotopic Mass:
656.1578321658001 Daltons
SMILES:
CC(=O)NC3(C(CC(C(=O)[O-])(OP(=O)([O-])OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))O[CH]3C(OC(C)=O)C(O)CO)O)
InChI:
1S/C22H33N4O17P/c1-8(28)24-14-10(30)5-22(20(34)35,42-18(14)17(11(31)6-27)40-9(2)29)43-44(37,38)39-7-12-15(32)16(33)19(41-12)26-4-3-13(23)25-21(26)36/h3-4,10-12,14-19,27,30-33H,5-7H2,1-2H3,(H,24,28)(H,34,35)(H,37,38)(H2,23,25,36)/p-2/t10-,11+,12+,14+,15+,16+,17+,18+,19+,22+/m0/s1
InChIKey:
SXXZZRFINHAESH-BFFRMRRTSA-L

Synonyms
  • CMP-7-O-acetyl-N-acetyl-β-neuraminate

Databases
MetaCyc:  CPD-16881
PubChem (CID):  122706321
MetaNetX:  MNXM148993