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BioLiP

PDB CCD ID: 0RJ
Number of entries in BioLiP: 1
Chemical formula: C4 H8 N2 O3
InChI: InChI=1S/C4H8N2O3/c5-3(4(8)9)1-6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey: VJGQHMAKHZCYRV-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)NC=O
CACTVS 3.370N[C@@H](CNC=O)C(O)=O
ACDLabs 12.01O=CNCC(N)C(=O)O
OpenEye OEToolkits 1.7.6C([C@@H](C(=O)O)N)NC=O
CACTVS 3.370N[CH](CNC=O)C(O)=O
Name:3-(formylamino)-L-alanine
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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