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CHEBI:90989 - CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonate(2−)

Default Structure
ChEBI IDCHEBI:90989
ChEBI NameCMP-3-deoxy-D-glycero-β-D-galacto-nonulosonate(2−)
Stars
ASCII NameCMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonate(2-)
DefinitionA nucleotide-sugar oxoanion obtained by deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid; major species at pH 7.3.
Last Modified11 January 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H26N3O16P
Net Charge-2
Average Mass571.385
Monoisotopic Mass571.10617
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)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]1O
InChIInChI=1S/C18H28N3O16P/c19-9-1-2-21(17(31)20-9)15-13(28)12(27)8(35-15)5-34-38(32,33)37-18(16(29)30)3-6(23)10(25)14(36-18)11(26)7(24)4-22/h1-2,6-8,10-15,22-28H,3-5H2,(H,29,30)(H,32,33)(H2,19,20,31)/p-2/t6-,7+,8+,10+,11+,12+,13+,14+,15+,18+/m0/s1
InChIKeySFLGTPJBQWRIMH-ZBOJUINDSA-L
ChEBI Ontology
Outgoing Relation(s)
CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonate(2−) (CHEBI:90989) is a nucleotide-sugar oxoanion (CHEBI:59737)
CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonate(2−) (CHEBI:90989) is conjugate base of CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596)
Incoming Relation(s)
CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596) is conjugate acid of CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonate(2−) (CHEBI:90989)
Synonyms  Source
CMP-3-deoxy-D-glycero-β-D-galacto-nononate(2−)ChEBI
CMP-deaminoneuraminateMetaCyc
CMP-KDN(2−)ChEBI
UniProt Name  Source
CMP-β-3-deoxy-D-glycero-β-D-galacto-non-2-ulopyranosonateUniProt
Manual XrefsDatabases
CPD-10737MetaCyc
Registry NumbersSources
Reaxys:8180555Reaxys
Citations