Summary

IMPPAT Phytochemical identifier: IMPHY000275

Phytochemical name: Mugineic acid

Synonymous chemical names:
mugineic acid, mugineic acid, 2'-deoxy

External chemical identifiers:
CID:11067153, ChEBI:25426, FDASRS:KR256JY76I, SureChEMBL:SCHEMBL1062827

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Chemical structure information

SMILES:
O[C@H](C(=O)O)CCN[C@@H]([C@H](CN1CC[C@H]1C(=O)O)O)C(=O)O

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

InChIKey:
GJRGEVKCJPPZIT-JBDRJPRFSA-N

DeepSMILES:
O[C@H]C=O)O))CCN[C@@H][C@H]CNCC[C@H]4C=O)O)))))))O))C=O)O

Functional groups:
CC(=O)O, CN(C)C, CNC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CNC1

Scaffold Graph/Node level:
C1CNC1

Scaffold Graph level:
C1CCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.425

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Chemical structure download