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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CMP-3-deoxy-α-D-manno-octulosonate(2−)
ChEBI ID CHEBI:59825
ChEBI ASCII Name CMP-3-deoxy-alpha-D-manno-octulosonate(2-)
Definition A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-α-D-manno-octulosonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H24N3O15P
Net Charge -2
Average Mass 541.35730
Monoisotopic Mass 541.09560
InChI InChI=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
InChIKey YWWJKULNWGRYAS-XKKDATLGSA-L
SMILES [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)CO
ChEBI Ontology
Outgoing 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 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 dianion ChEBI
Manual Xref Database
CMP-KDO MetaCyc
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Last Modified
01 July 2015