2-Amino-4-hydroxybutanoic acid; (S)-form, O-(3,4-Dihydroxy-E-cinnamoyl) 

AlkaPlorer ID: AK285792

Synonym: O-Caffeoylhomoserine 

IUPAC Name: 2-amino-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxybutanoic acid

Structure

SMILES: NC(CCOC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O

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InChI: InChI=1S/C13H15NO6/c14-9(13(18)19)5-6-20-12(17)4-2-8-1-3-10(15)11(16)7-8/h1-4,7,9,15-16H,5-6,14H2,(H,18,19)/b4-2+

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InChIKey: LZLSTORCTUAAEH-DUXPYHPUSA-N

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Reference

PubChem CID: 12150368

CAS: 551906-82-2

Source

Properties Information

Molecule Weight: 281.264

TPSA: 130.07999999999998

MolLogP: 0.4561999999999998

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information