Mimosine
PubChem CID: 440473
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| Compound Synonyms | L-mimosine, Mimosine, 500-44-7, Leucenol, Leucenine, Leucaenine, Leucaenol, Mimosin, (L)-MIMOSINE, Minosine, L-, L-Mimosine from Koa hoale seeds, Z46B1LUI5N, Leucena glauca alpha-amino acid, (2S)-2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid, CHEBI:29063, HSDB 3512, MIMOSINE [MI], EINECS 207-905-1, MFCD00075909, NSC 69188, MIMOSINE [WHO-DD], AI3-51821, CHEMBL245416, (S)-2-Amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acid, NSC-69188, (S)-alpha-Amino-3-hydroxy-4-oxo-1(4H)-pyridylpropionic acid, (2S)-2-azaniumyl-3-(4-hydroxy-3-oxidopyridinium-1-yl)propanoate, 1(4H)-Pyridinepropanoic acid, alpha-amino-3-hydroxy-4-oxo-, (S)-, (2S)-2-amino-3-(3-hydroxy-4-oxo-1,4-dihydropyridin-1-yl)propanoic acid, 1(4H)-Pyridinepropanoic acid, .alpha.-amino-3-hydroxy-4-oxo-, (.alpha.S)-, (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate, (2S)-2-amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acid, L-Leucinine, 1(4H)-Pyridinepropanoic acid, alpha-amino-3-hydroxy-4-oxo-, (alphaS)-, SR-05000002336, UNII-Z46B1LUI5N, 1-mimosine, (2S)-2-azaniumyl-3-(3-oxido-4-oxo-1,4-dihydropyridin-1-yl)propanoate, starbld0036637, Prestwick3_000379, SCHEMBL41925, BSPBio_000537, BIDD:ER0500, BPBio1_000591, Bio1_000356, Bio1_000845, Bio1_001334, DTXSID401017244, HMS2096K19, HMS3263H18, HY-N0928, Tox21_501238, BDBM50198715, s7446, AKOS027326907, CCG-208235, DB01055, LP01238, SDCCGSBI-0633809.P001, NCGC00179528-01, NCGC00179528-02, NCGC00179528-04, NCGC00179528-07, NCGC00261923-01, AC-35157, AS-56262, DA-55491, L-Mimosine from Koa hoale seeds, >=98%, AB00513825, CS-0012957, NS00068434, C04771, 3-(3-hydroxy-4-oxopyridin-1(4H)-yl)-L-alanine, Q3180669, SR-05000002336-2, SR-05000002336-3, BRD-K67642028-001-03-6, (2S)-2-amino-3-(3-hydroxy-4-oxo-1-pyridyl)propanoic acid, (2S)-2-azaniumyl-3-(3-hydroxy-4-oxopyridin-1-yl)propanoate, (2S)-2-Amino-3-[3-hydroxy-4-oxo-1(4H)-pyridyl]propanoic acid, (S)-alpha-Amino-beta-[1-(3-hydroxy-4-oxopyridine)]propionic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)[C@H]Cnccc=O)cc6)O)))))))N |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | OC1CCNCC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P14679, P34896, P13500 |
| Iupac Name | (2S)-2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10N2O4 |
| Scaffold Graph Node Bond Level | O=c1cc[nH]cc1 |
| Inchi Key | WZNJWVWKTVETCG-YFKPBYRVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate, Leucenol, (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoic acid, L-Mimosine, Leucaenine, Leucaenol, Leucenine, Mimosin, Mimosine, leucenine, leucenol |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, c=O, cO, cn(c)C |
| Compound Name | Mimosine |
| Kingdom | Organic compounds |
| Exact Mass | 198.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.064 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 198.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1 |
| Smiles | C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | L-alpha-amino acids |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Leucaena Leucocephala (Plant) Rel Props:Reference:ISBN:9780387706375