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
Chemical structure information
SMILES:
O[C@H](C(=O)O)CCN[C@@H]([C@H](CN1CC[C@H]1C(=O)O)O)C(=O)OInChI:
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/s1InChIKey:
GJRGEVKCJPPZIT-JBDRJPRFSA-NDeepSMILES:
O[C@H]C=O)O))CCN[C@@H][C@H]CNCC[C@H]4C=O)O)))))))O))C=O)OFunctional groups:
CC(=O)O, CN(C)C, CNC, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CNC1Scaffold Graph/Node level:
C1CNC1Scaffold Graph level:
C1CCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic acids and derivativesClassyFire 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
Chemical structure download