L-Canavanine
PubChem CID: 439202
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| Compound Synonyms | L-canavanine, canavanine, 543-38-4, Canavanin, 2-Amino-4-(guanidinooxy)butyric acid, (L)-CANAVANINE, O-((Aminoiminomethyl)amino)-L-homoserine, UNII-3HZV514J4B, (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid, 3HZV514J4B, HSDB 3471, CHEBI:609827, L-Homoserine, O-((aminoiminomethyl)amino)-, CANAVANINE [MI], L-CAV, (+)-CANAVANINE, Butyric acid, 2-amino-4-(guanidinooxy)-, L-, CANAVANINE [HSDB], O-((Aminoiminomethyl)amino)homoserine, L-Alpha-amino-gamma-[guanidinooxy]-N-butyric acid, CANAVANINE, (+)-, O-carbamimidamido-L-homoserine, AI3-52153, CHEMBL443732, L-Homoserine, O-[(aminoiminomethyl)amino]-, DTXSID5045041, 2-azaniumyl-4-(diaminomethylideneamino)oxybutanoate, O-[(Aminoiminomethyl)amino]-L-homoserine, (S)-2-Amino-4-(guanidinooxy)butanoic acid, (2S)-2-amino-4-(carbamimidamidooxy)butanoic acid, GGB, L-Cav, LDN 21810, 2-amino-4-(guanidinooxy)butyrate, L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid, (L)Canavanine, L(+)-Canavanine, Spectrum_001137, Tocris-0673, Prestwick3_000609, Spectrum2_000800, Spectrum3_001206, Spectrum4_000783, Spectrum5_001884, Lopac-C-9758, bmse000073, Lopac0_000320, BSPBio_000518, BSPBio_002592, KBioGR_001226, KBioSS_001617, DivK1c_000360, SCHEMBL151097, SPECTRUM1500833, SPBio_000940, BPBio1_000570, DTXCID3025041, HMS501B22, KBio1_000360, KBio2_001617, KBio2_004185, KBio2_006753, KBio3_002092, FSBIGDSBMBYOPN-VKHMYHEASA-N, NINDS_000360, HMS1921K08, L2Amino4(guanidinooxy)butyric acid, HY-B1581, BDBM50271982, BDBM50370459, CCG-40178, O((Aminoiminomethyl)amino)Lhomoserine, AKOS006240676, DB01833, SDCCGMLS-0066683.P001, SDCCGSBI-0050308.P003, IDI1_000360, LHomoserine, O((aminoiminomethyl)amino), SMP1_000062, Butyric acid, 2amino4(guanidinooxy), L, NCGC00015287-01, NCGC00015287-14, NCGC00015287-18, NCGC00015287-19, NCGC00024722-01, NCGC00024722-02, NCGC00024722-03, NCGC00024722-04, AS-87378, FC162286, LalphaAminogamma(guanidinooxy)nbutyric acid, (2S)-2-amino-4-guanidinooxy-butanoic acid, O-{[Amino(imino)methyl]amino}-L-homoserine, CS-0013477, NS00014863, Butyric acid, 2-amino-4-(guanidinooxy)-, L, C00308, G77710, L-Homoserine, O-((aminoiminomethyl)amino)-(9CI), Q418408, (2S)-2-azaniumyl-4-(diaminomethylideneamino)oxybutanoate, [Eur.J.Pharmacol. 269:269, 271:87 (1994)], (2s)-2-amino-4-(((diaminomethylidene)amino)oxy)butanoic acid, 56C22C33-8657-4884-BE16-CAF24BF61D77, L-Canavanine, >=98% (TLC), powder, from Canavalia ensiformis |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)[C@H]CCON=CN)N))))))N |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P29474 |
| Iupac Name | (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -4.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12N4O3 |
| Inchi Key | FSBIGDSBMBYOPN-VKHMYHEASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (2S)-2-Ammonio-4-(carbamimidamidooxy)butanoate, L-Canavanine, 2-Amino-4-(guanidinooxy)butyric acid, (2S)-2-Ammonio-4-(carbamimidamidooxy)butanoic acid, 2-Amino-4-(guanidinooxy)butyrate, Canavanin, O-((Aminoiminomethyl)amino)homoserine, L-2-Amino-4-(guanidinooxy)butyrate, Canavanine, canavanin, canavanine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CON=C(N)N |
| Compound Name | L-Canavanine |
| Kingdom | Organic compounds |
| Exact Mass | 176.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.091 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 176.17 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 |
| Smiles | C(CON=C(N)N)[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 Canavalia Ensiformis (Plant) Rel Props:Reference:ISBN:9788172361266 - 2. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Reference:ISBN:9788185042114 - 3. Outgoing r'ship
FOUND_INto/from Canavalia Rosea (Plant) Rel Props:Reference:ISBN:9770972795006 - 4. Outgoing r'ship
FOUND_INto/from Gliricidia Sepium (Plant) Rel Props:Reference:ISBN:9788172362300 - 5. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Reference:ISBN:9788185042145 - 6. Outgoing r'ship
FOUND_INto/from Melilotus Officinalis (Plant) Rel Props:Reference:ISBN:9780387706375