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BioLiP

PDB CCD ID: FL6
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O4
InChI: InChI=1S/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)/t3-/m0/s1
InChIKey: SBRYFUVVWOMLLP-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)C[CH](N)C(O)=O
CACTVS 3.385COC(=O)C[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7COC(=O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7COC(=O)C[C@@H](C(=O)O)N
Name:(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
ZINC: ZINC000001708458
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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