Chem
J-GLOBAL ID:200907076286657431   Nikkaji number:J134.071I

Mugineic acid

ムギネ酸
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: C12H20N2O8
Molecular formula furigana: C12-H20-N2-O8
Molecular weight: 320.298
InChI: InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1
InChI key: GJRGEVKCJPPZIT-JBDRJPRFSA-N
SMILES: O[C@@H](CN1CC[C@H]1C(=O)O)[C@H](NCC[C@H](O)C(=O)O)C(=O)O
Systematic name  (3):
  • (αS,βS,2S)-2α-カルボキシ-α-[(S)-3-カルボキシ-3-ヒドロキシプロピルアミノ]-β-ヒドロキシ-1-アゼチジンブタン酸
  • (2S)-1-[(2S,3S)-3-カルボキシ-3-{[(3S)-3-カルボキシ-3-ヒドロキシプロピル]アミノ}-2-ヒドロキシプロピル]アゼチジン-2-カルボン酸
  • (2S)-1-[(2S,3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}-2-hydroxypropyl]azetidine-2-carboxylic acid
Other name (4):
  • Mugineic acid
  • ムギネ酸
  • ムギネイン酸
  • (αS,βS,2S)-2α-Carboxy-α-[(S)-3-carboxy-3-hydroxypropylamino]-β-hydroxy-1-azetidinebutanoic acid
CAS registry number: 69199-37-7
KEGG COMPOUND: C15500
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