Summary

IMPPAT Phytochemical identifier: IMPHY001726

Phytochemical name: avenic acid B

Synonymous chemical names:
avenic acid b

External chemical identifiers:
CID:16070022, ChEBI:38156, ZINC:ZINC000013374812

---

Chemical structure information

SMILES:
OCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O

InChI:
InChI=1S/C8H15NO6/c10-4-2-5(7(12)13)9-3-1-6(11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15)/t5-,6-/m0/s1

InChIKey:
YVTYLIZWVFUUMH-WDSKDSINSA-N

DeepSMILES:
OCC[C@@H]C=O)O))NCC[C@@H]C=O)O))O

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

---

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, Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.946

---

Chemical structure download