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BioLiP

PDB CCD ID: AMB
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O3
InChI: InChI=1S/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2-/t4-/m0/s1
InChIKey: HLOPMQJRUIOMJO-SWOZAWMQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CO\C=C/[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(/C=C\OC)N
CACTVS 3.341COC=C[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0COC=CC(C(=O)O)N
OpenEye OEToolkits 1.5.0CO\C=C/[C@@H](C(=O)O)N
Name:L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID
ChEMBL: CHEMBL295971
DrugBank: DB03611
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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