Chem
J-GLOBAL ID:200907052665671194   Nikkaji number:J18.352K

Nicotianamine

ニコチアナミン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C12H21N3O6
Molecular formula furigana: C12-H21-N3-O6
Molecular weight: 303.315
InChI: InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
InChI key: KRGPXXHMOXVMMM-CIUDSAMLSA-N
SMILES: N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O
Systematic name  (3):
  • (2S,αS)-α-[[(S)-3-アミノ-3-カルボキシプロピル]アミノ]-2-カルボキシ-1-アゼチジン酪酸
  • (2S)-1-[(3S)-3-{[(3S)-3-アミノ-3-カルボキシプロピル]アミノ}-3-カルボキシプロピル]アゼチジン-2-カルボン酸
  • (2S)-1-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid
Other name (3):
  • ニコチアナミン
  • Nicotianamine
  • (2S,αS)-α-[[(S)-3-Amino-3-carboxypropyl]amino]-2-carboxy-1-azetidinebutyric acid
CAS registry number: 34441-14-0
KEGG COMPOUND: C05324
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