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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonate(2−)
ChEBI ID CHEBI:90989
ChEBI ASCII Name CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonate(2-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H26N3O16P
Net Charge -2
Average Mass 571.384
Monoisotopic Mass 571.10617
InChI InChI=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
InChIKey SFLGTPJBQWRIMH-ZBOJUINDSA-L
SMILES C1=CC(=NC(N1[C@@H]2O[C@H](COP(O[C@]3(C[C@H](O)[C@@H](O)[C@@](O3)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-])(=O)[O-])[C@H]([C@H]2O)O)=O)N
ChEBI Ontology
Outgoing 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 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 Sources
CMP-3-deoxy-D-glycero-β-D-galacto-nononate(2−) ChEBI
CMP-β-3-deoxy-D-glycero-β-D-galacto-non-2-ulopyranosonate UniProt
CMP-deaminoneuraminate MetaCyc
CMP-KDN(2−) ChEBI
Manual Xref Database
CPD-10737 MetaCyc
View more database links
Registry Number Type Source
8180555 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18804026 PubMed citation SUBMITTER
Last Modified
11 January 2017