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BioLiP

PDB CCD ID: NXA
Number of entries in BioLiP: 2
Chemical formula: C4 H7 N O4
InChI: InChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey: JCVPWRQVQNVNGU-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](NC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)NC(=O)O
ACDLabs 10.04O=C(O)C(NC(=O)O)C
CACTVS 3.341C[C@H](NC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)NC(=O)O
Name:N-CARBOXYALANINE
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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