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COCONUT Compound

Carbamoyl phosphate

CNP0209834.0 · CH4NO5P · View on COCONUT ↗

2D Structure

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Identifiers

NameCarbamoyl phosphate
IUPAC Namephosphono carbamate
COCONUT IDCNP0209834.0
CAS590-55-6
InChIKeyFFQKYPRQEYGKAF-UHFFFAOYSA-N
InChIInChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
SMILESNC(=O)OP(=O)(O)O

Properties

Molecular FormulaCH4NO5P
Molecular Weight141.02
Exact Mass140.98271
Log P (ALogP)-0.83
TPSA109.85
H-Bond Donors / Acceptors3 / 3
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.41
NP-likeness0.74

Classification

NP PathwayAmino acids and Peptides
NP SuperclassSmall peptides
NP ClassAminoacids
Chemical SuperclassOrganic acids and derivatives
Chemical ClassOrganic phosphoric acids and derivatives
Chemical SubclassOrganic phosphoric acids and derivatives

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT

References (6)

  1. 10.1007/S11306-012-0464-Y
  2. 10.1007/S11306-016-1051-4
  3. 10.1038/MSB.2011.65
  4. 10.1038/NBT.2488
  5. 10.1038/msb.2011.65
  6. 10.1089/ind.2013.0013

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.