CHEBI:191184 - CMP-Leg

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CMP-Leg
ChEBI ID CHEBI:191184
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H33N5O15P.Na
Net Charge 0
Average Mass 661.490
Monoisotopic Mass 661.16085
InChI InChI=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
InChIKey LJTJGHLPCBVCNL-UHFFFAOYSA-M
SMILES P(OC1(OC(C(NC(=O)C)C(O)C1)C(NC(=O)C)C(O)C)C(O)=O)(OCC2OC(N3C=CC(=NC3=O)N)C(O)C2O)([O-])=O.[Na+]
Metabolite of Species Details
Bacillus subtilis (NCBI:txid1423) Found in Whole Organism (NCIT:C13413). of strain Bacillus subtilis str. TF8A See: MetaboLights Study
ChEBI Ontology
Outgoing 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