EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59825 - CMP-3-deoxy-α-D-manno-octulosonate(2−)

Default Structure
ChEBI IDCHEBI:59825
ChEBI NameCMP-3-deoxy-α-D-manno-octulosonate(2−)
Stars
ASCII NameCMP-3-deoxy-alpha-D-manno-octulosonate(2-)
DefinitionA doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-α-D-manno-octulosonic acid.
Last Modified1 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H24N3O15P
Net Charge-2
Average Mass541.359
Monoisotopic Mass541.09560
SMILES[H][C@]1([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/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/p-2/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1
InChIKeyYWWJKULNWGRYAS-XKKDATLGSA-L
ChEBI Ontology
Outgoing Relation(s)
CMP-3-deoxy-α-D-manno-octulosonate(2−) (CHEBI:59825) is a nucleotide-sugar oxoanion (CHEBI:59737)
CMP-3-deoxy-α-D-manno-octulosonate(2−) (CHEBI:59825) is conjugate base of CMP-3-deoxy-α-D-manno-octulosonic acid (CHEBI:18014)
Incoming Relation(s)
CMP-3-deoxy-α-D-manno-octulosonic acid (CHEBI:18014) is conjugate acid of CMP-3-deoxy-α-D-manno-octulosonate(2−) (CHEBI:59825)
Synonym  Source
CMP-3-deoxy-D-manno-octulosonate dianionChEBI
Manual XrefsDatabases
CMP-KDOMetaCyc