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CHEBI:68670 - CMP-N,N-diacetyllegionaminate(2−)

ChEBI IDCHEBI:68670
ChEBI NameCMP-N,N-diacetyllegionaminate(2−)
Stars
ASCII NameCMP-N,N-diacetyllegionaminate(2-)
DefinitionA nucleotide-sugar oxoanion obtained by deprotonation of carboxy and phosphate groups of CMP-N,N-diacetyllegionaminate; major species at pH 7.3.
Last Modified11 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC22H32N5O15P
Net Charge-2
Average Mass637.492
Monoisotopic Mass637.16435
SMILES[H][C@@]1([C@H](NC(C)=O)[C@@H](C)O)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]1NC(C)=O
InChIInChI=1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/p-2/t8-,11+,12-,14-,15-,16-,17-,18+,19-,22-/m1/s1
InChIKeyXTZJKGIMUFZFBV-QBAABWDMSA-L
ChEBI Ontology
Outgoing Relation(s)
CMP-N,N-diacetyllegionaminate(2−) (CHEBI:68670) is a nucleotide-sugar oxoanion (CHEBI:59737)
CMP-N,N-diacetyllegionaminate(2−) (CHEBI:68670) is conjugate base of CMP-N,N-diacetyllegionaminic acid (CHEBI:68683)
Incoming Relation(s)
CMP-N,N-diacetyllegionaminic acid (CHEBI:68683) is conjugate acid of CMP-N,N-diacetyllegionaminate(2−) (CHEBI:68670)
IUPAC Name 
cytidine 5'-(5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-β-D-galacto-non-2-ulopyranosylonate monophosphate)
UniProt Name  Source
CMP-N,N-diacetyllegionaminateUniProt
Manual XrefsDatabases
CPD-13167MetaCyc
Citations