Saccharopine
PubChem CID: 160556
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| Compound Synonyms | L-Saccharopine, saccharopine, 997-68-2, accharopin, Saccharopin, epsilon-N-(L-glutar-2-yl)-L-lysine, N6-(L-1,3-dicarboxypropyl)-L-lysine, UNII-WBQ73O8W32, SACCHAROPINE, L-, L-SACCHAROPINE [MI], L-Glutamic acid, N-[(5S)-5-amino-5-carboxypentyl]-, WBQ73O8W32, CHEBI:16927, N-(5-amino-5-carboxypentyl)-L-glutamic acid, N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID, N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid, N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid, L-Glutamic acid, N-(5-amino-5-carboxypentyl)-, (S)-, N(6)-(L-1,3-dicarboxypropyl)-L-lysine, N-(5-amino-5-carboxypentyl)-glutamic acid, L-N-(5-amino-5-carboxypentyl)-Glutamic acid, ((S)-5-amino-5-carboxypentyl)-L-glutamic acid, (S)-N-(5-amino-5-carboxypentyl)-L-Glutamic acid, (2S)-2-[[(5S)-5-amino-5-carboxypentyl]amino]pentanedioic acid, N-((S)-5-Amino-5-carboxypentyl)-L-glutamate, N-[(S)-5-Amino-5-carboxypentyl]-L-glutamate, N-((5S)-5-AMINO-5-CARBOXYPENTYL)-L-GLUTAMIC ACID, L-GLUTAMIC ACID, N-((5S)-5-AMINO-5-CARBOXYPENTYL)-, (2S)-2-{[(5S)-5-amino-5-carboxypentyl]amino}pentanedioic acid, L-Saccharopin, Glutamic acid, N-(5-amino-5-carboxypentyl)-, L- (8CI), L-Glutamic acid, N-(5-amino-5-carboxypentyl)-, (S)-, Saccharopine (7CI), N-[(5S)-5-Amino-5-carboxypentyl]-L-glutamic acid, L-Saccharopine, Saccharopin, SCHEMBL187831, DTXSID80862507, MSK157681, AKOS030623049, CS-W021047, DB04207, HY-W040307, FS172579, 1ST157681, NS00014873, .EPSILON.-N-(L-GLUTAR-2-YL)-L-LYSINE, C00449, Q3132238, (S)-2-((S)-5-amino-5-carboxypentylamino)pentanedioic acid, BE230516-20C4-4441-BF27-4117776E281D |
|---|---|
| Topological Polar Surface Area | 150.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q9UDR5, Q8NBX0, A4D0W4 |
| Iupac Name | (2S)-2-[[(5S)-5-amino-5-carboxypentyl]amino]pentanedioic acid |
| Prediction Hob | 0.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -5.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C11H20N2O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDGJAHTZVHVLOT-YUMQZZPRSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -1.892 |
| Rotatable Bond Count | 11.0 |
| State | Solid |
| Logd | -0.111 |
| Synonyms | epsilon-N-(L-Glutar-2-yl)-L-lysine, N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid, N6-(L-1,3-Dicarboxypropyl)-L-lysine, L-Saccharopine, N-[(S)-5-Amino-5-carboxypentyl]-L-glutamate, (S)-N-(5-Amino-5-carboxypentyl)-L-glutamic acid, L-N-(5-Amino-5-carboxypentyl)-glutamic acid, L-Saccharopin, N(6)-(L-1,3-Dicarboxypropyl)-L-lysine, N-(5-Amino-5-carboxypentyl)-glutamic acid, N-(5-Amino-5-carboxypentyl)-L-glutamic acid, N-[(5S)-5-Amino-5-carboxypentyl]-L-glutamic acid, Saccharopin |
| Compound Name | Saccharopine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.132 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 276.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 2.6506081999999997 |
| Inchi | InChI=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 |
| Smiles | C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Glutamic acid and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Haplophyllum Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all