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CHEBI:85987 - CMP-3-deoxy-β-D-manno-octulosonate(2−)

Default Structure
ChEBI IDCHEBI:85987
ChEBI NameCMP-3-deoxy-β-D-manno-octulosonate(2−)
Stars
ASCII NameCMP-3-deoxy-beta-D-manno-octulosonate(2-)
DefinitionA nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-β-D-manno-octulosonic acid; major species at pH 7.3.
Last Modified4 February 2016
SubmitterKristian Axelsen
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-UOVSKDHASA-L
ChEBI Ontology
Outgoing Relation(s)
CMP-3-deoxy-β-D-manno-octulosonate(2−) (CHEBI:85987) is a nucleotide-sugar oxoanion (CHEBI:59737)
CMP-3-deoxy-β-D-manno-octulosonate(2−) (CHEBI:85987) is conjugate base of CMP-3-deoxy-β-D-manno-octulosonic acid (CHEBI:86284)
Incoming Relation(s)
CMP-3-deoxy-β-D-manno-octulosonic acid (CHEBI:86284) is conjugate acid of CMP-3-deoxy-β-D-manno-octulosonate(2−) (CHEBI:85987)
UniProt Name  Source
CMP-3-deoxy-β-D-manno-octulosonateUniProt
Citations