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BioLiP

PDB CCD ID: RVJ
Number of entries in BioLiP: 0
Chemical formula: C3 H10 N4 O2
InChI: InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1
InChIKey: CPNWKFOHPKABKD-REOHCLBHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(CNNN)C(=O)O
OpenEye OEToolkits 2.0.7C(C(C(=O)O)N)NNN
CACTVS 3.385NNNC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7C([C@@H](C(=O)O)N)NNN
CACTVS 3.385NNNC[CH](N)C(O)=O
Name:3-triazan-1-yl-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)(download the PDF file).
  • 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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