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BioLiP

PDB CCD ID: OUD
Number of entries in BioLiP: 0
Chemical formula: C5 H10 N2 O4
InChI: InChI=1S/C5H10N2O4/c6-3(1-4(8)9)2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)/t3-/m0/s1
InChIKey: KNPMIAWBJUCARG-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CNC(O)=O)CC(O)=O
OpenEye OEToolkits 2.0.6C([C@@H](CNC(=O)O)N)C(=O)O
OpenEye OEToolkits 2.0.6C(C(CNC(=O)O)N)C(=O)O
CACTVS 3.385N[C@H](CNC(O)=O)CC(O)=O
Name:(3~{S})-3-azanyl-4-(carboxyamino)butanoic 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).
  • 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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