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BioLiP

PDB CCD ID: AQK
Number of entries in BioLiP: 2
Chemical formula: C7 H14 N2 O4
InChI: InChI=1S/C7H14N2O4/c8-3-1-2-5(7(12)13)9-4-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey: YVSBHPGVGNJMHM-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCC[CH](NCC(O)=O)C(O)=O
CACTVS 3.385NCCC[C@H](NCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6C(CC(C(=O)O)NCC(=O)O)CN
OpenEye OEToolkits 2.0.6C(C[C@@H](C(=O)O)NCC(=O)O)CN
Name:(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic 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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