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CHEBI:191184 - CMP-Leg

ChEBI IDCHEBI:191184
ChEBI NameCMP-Leg
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33N5O15P.Na
Net Charge0
Average Mass661.490
Monoisotopic Mass661.16085
SMILESCC(=O)NC(C(C)O)C1OC(OP(=O)([O-])OCC2OC(n3ccc(N)nc3=O)C(O)C2O)(C(=O)O)CC(O)C1NC(C)=O.[Na+]
InChIInChI=1S/C22H34N5O15P.Na/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);/q;+1/p-1
InChIKeyLJTJGHLPCBVCNL-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Bacillus subtilis (ncbitaxon:1423) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4415) Strain: Bacillus subtilis str. TF8A
ChEBI Ontology
Outgoing Relation(s)
CMP-Leg (CHEBI:191184) is a pyrimidine ribonucleoside monophosphate (CHEBI:26443)
IUPAC Name 
sodium;[5-acetamido-6-(1-acetamido-2-hydroxypropyl)-2-carboxy-4-hydroxyoxan-2-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate