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COCONUT Compound

L-Saccharopine

CNP0110239.1 · C11H20N2O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameL-Saccharopine
IUPAC Name(2~{S})-2-[[(5~{S})-5-amino-5-carboxy-pentyl]amino]pentanedioic acid
COCONUT IDCNP0110239.1
CAS997-68-2
InChIKeyZDGJAHTZVHVLOT-YUMQZZPRSA-N
InChIInChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
SMILESN[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O

Properties

Molecular FormulaC11H20N2O6
Molecular Weight276.29
Exact Mass276.13214
Log P (ALogP)-0.52
TPSA149.95
H-Bond Donors / Acceptors5 / 5
Rotatable Bonds11
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.32
NP-likeness0.77

Classification

NP PathwayAmino acids and Peptides
NP SuperclassSmall peptides
NP ClassAminoacids
Chemical SuperclassOrganic acids and derivatives
Chemical ClassCarboxylic acids and derivatives
Chemical SubclassAmino acids, peptides, and analogues

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana Tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT

References (12)

  1. 10.1007/S11306-016-1051-4
  2. 10.1016/0031-9422(86)88023-2
  3. 10.1016/S0031-9422(00)83801-7
  4. 10.1038/NBT.2488
  5. 10.1074/JBC.M400071200
  6. 10.1080/00021369.1978.10863281
  7. 10.1111/J.1365-2621.1985.TB10514.X
  8. 10.1111/J.1365-2621.1987.TB13989.X
  9. 10.1271/BBB1961.43.1995
  10. 10.1271/BBB1961.46.987
  11. 10.3389/FMOLB.2018.00096
  12. 10.3390/METABO4030599

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.