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BioLiP

PDB CCD ID: A0A
Number of entries in BioLiP: 0
Chemical formula: C5 H7 N O5
InChI: InChI=1S/C5H7NO5/c6-3(5(9)10)1-4(8)11-2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1
InChIKey: GWMBYHNCVMJVDI-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)C(=O)OC=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)C(=O)OC=O
CACTVS 3.341N[CH](CC(=O)OC=O)C(O)=O
ACDLabs 10.04O=C(OC=O)CC(C(=O)O)N
CACTVS 3.341N[C@@H](CC(=O)OC=O)C(O)=O
Name:(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID
ZINC: ZINC000058626861
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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