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CHEBI:229947 - CMP-N-β-acetyl-9-O-acetylneuraminate(2−)

ChEBI IDCHEBI:229947
ChEBI NameCMP-N-β-acetyl-9-O-acetylneuraminate(2−)
Stars
ASCII NameCMP-N-beta-acetyl-9-O-acetylneuraminate(2-)
Submitterlaimo
DownloadsMolfile
FormulaC22H31N4O17P
Net Charge-2
Average Mass654.475
Monoisotopic Mass654.14328
SMILES[H][C@@]1([C@H](O)[C@H](O)COC(C)=O)O[C@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C22H33N4O17P/c1-8(27)24-14-10(29)5-22(20(34)35,42-18(14)15(31)11(30)6-39-9(2)28)43-44(37,38)40-7-12-16(32)17(33)19(41-12)26-4-3-13(23)25-21(26)36/h3-4,10-12,14-19,29-33H,5-7H2,1-2H3,(H,24,27)(H,34,35)(H,37,38)(H2,23,25,36)/p-2/t10-,11+,12+,14+,15+,16+,17+,18+,19+,22+/m0/s1
InChIKeyZMMQGPOJIJZZEV-BFFRMRRTSA-L
ChEBI Ontology
Outgoing Relation(s)
CMP-N-β-acetyl-9-O-acetylneuraminate(2−) (CHEBI:229947) has functional parent CMP-N-acetyl-β-neuraminate(2−) (CHEBI:57812)
CMP-N-β-acetyl-9-O-acetylneuraminate(2−) (CHEBI:229947) is a nucleotide-sugar oxoanion (CHEBI:59737)
Synonym  Source
CMP-Neu5,9Ac2(2−)SUBMITTER
UniProt Name  Source
CMP-N-acetyl-9-O-acetyl-β-neuraminateUniProt
Citations