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BioLiP Library

PDB CCD ID: B3X
Number of entries in BioLiP: 0
Chemical formula: C5 H10 N2 O3
InChI: InChI=1S/C5H10N2O3/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKey: XOYSDPUJMJWCBH-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](CC(N)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(C(CC(=O)O)N)C(=O)N
OpenEye OEToolkits 1.5.0C([C@@H](CC(=O)O)N)C(=O)N
CACTVS 3.341N[C@@H](CC(N)=O)CC(O)=O
ACDLabs 10.04O=C(N)CC(N)CC(=O)O
Name:(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID
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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