| Phytochemical Name : Nicotianamine |
| PCNDIDN0057 |
| Pubchem CID : 9882882 |
| Molecular formula: C12H21N3O6 |
| Canonical SMILES : C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)N |
Synonymes : Nicotianamine|34441-14-0|(S,S,S)-nicotianamine|2OGX6YHQ1F|UNII-2OGX6YHQ1F|CHEMBL3581907|(2S)-1-[(3S)-3-[[(3S)-3-amino-3-carboxypropyl]amino]-3-carboxypropyl]azetidine-2-carboxylic acid|1-Azetidinebutanoic acid, alpha-((3-amino-3-carboxypropyl)amino)-2-carboxy-, (2S-(1(alphaR*(R*)),2R*))-|(2S)-1-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid|1-Azetidinebutanoic acid, alpha-((3-amino-3-carboxypropyl)amino)-2-car boxy-, (2S-(1(alphaR*(R*)),2R*))-|C12H21N3O6|C12-H21-N3-O6|SCHEMBL542007|DTXSID8037677|CHEBI:17721|BDBM50090921|AKOS030242342|C05324|J-019609|Q11324211|044DBB66-112B-48B2-8A19-380C1C452CB2|(alphaS,2S)-alpha-[[(3S)-3-Amino-3-carboxypropyl]amino]-2-carboxy-1-azetidinebutanoic Acid|[2S-[1[alphaR*(R*)],2R*]]-alpha-[(3-Amino-3-carboxypropyl)amino]-2-carboxy- 1-azetidinebutanoic Acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.850 |
| Log Po/w (XLOGP3) : -8.210 |
| Log Po/w (WLOGP) : -2.000 |
| Log Po/w (MLOGP) : -5.990 |
| Log Po/w (SILICOS-IT) : -1.580 |
| Consensus Log Po/w : -3.380 |