avenic acid A
4-[(1-carboxy-3-hydroxypropyl)amino]-2-[(3-carboxy-3-hydroxypropyl)amino]butanoic acid
Molecular Identity
avenic acid A
4-[(1-carboxy-3-hydroxypropyl)amino]-2-[(3-carboxy-3-hydroxypropyl)amino]butanoic acid
PubChem CID: 16070004
Avenic acid A is a tricarboxylic acid. It has a role as an iron(3+) chelator.
2D Structure
Properties
C12H22N2O8
Molecular Formula
322.31
Molecular Weight
g/mol
322.1376
Exact Mass
Da
-6.6
XLogP
Drug-like (Lipinski: < 5)
176
TPSA
May have limited oral absorption
7
H-Bond Donors
10
H-Bond Acceptors
376
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(12)
avenic acid ACHEBI:226784-[(1-carboxy-3-hydroxypropyl)amino]-2-[(3-carboxy-3-hydroxypropyl)amino]butanoic acidN-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl}homoserineN-[3-(3-Hydroxy-3-carboxypropylamino)-3-carboxypropyl]homoserine, 9CIN-(3-carboxy-3-((3-carboxy-3-hydroxypropyl)amino)propyl)homoserineN-(3-(3-Hydroxy-3-carboxypropylamino)-3-carboxypropyl)homoserine, 9ci4-((1-carboxy-3-hydroxypropyl)amino)-2-((3-carboxy-3-hydroxypropyl)amino)butanoic acidRefChem:11575376224-57-2AVAQ27109488
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to avenic acid A
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