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CHEBI:18014 - CMP-3-deoxy-α-D-manno-octulosonic acid

Default Structure
ChEBI IDCHEBI:18014
ChEBI NameCMP-3-deoxy-α-D-manno-octulosonic acid
Stars
ASCII NameCMP-3-deoxy-alpha-D-manno-octulosonic acid
DefinitionA CMP-sugar having 3-deoxy-α-D-manno-octulosonic acid as the sugar component.
Secondary ChEBI IDsCHEBI:3277, CHEBI:13275, CHEBI:20874
Last Modified1 July 2015
DownloadsMolfile
FormulaC17H26N3O15P
Net Charge0
Average Mass543.375
Monoisotopic Mass543.11015
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)/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1
InChIKeyYWWJKULNWGRYAS-XKKDATLGSA-N
ChEBI Ontology
Outgoing Relation(s)
CMP-3-deoxy-α-D-manno-octulosonic acid (CHEBI:18014) is a CMP-sugar (CHEBI:20878)
CMP-3-deoxy-α-D-manno-octulosonic acid (CHEBI:18014) is conjugate acid of CMP-3-deoxy-α-D-manno-octulosonate(2−) (CHEBI:59825)
Incoming Relation(s)
CMP-3-deoxy-α-D-manno-octulosonate(2−) (CHEBI:59825) is conjugate base of CMP-3-deoxy-α-D-manno-octulosonic acid (CHEBI:18014)
IUPAC Name 
cytidine 5'-[(3-deoxy-α-D-manno-oct-2-ulopyranosonyl) hydrogen phosphate]
Synonym  Source
CMP-KDOChEBI