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BioLiP

PDB CCD ID: MKE
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O3
InChI: InChI=1S/C6H11NO3/c1-4(8)5(7)2-3-6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1
InChIKey: BEQNQQMUNXSRBI-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)C(CCC(=O)O)N
OpenEye OEToolkits 1.5.0CC(=O)[C@H](CCC(=O)O)N
CACTVS 3.341CC(=O)[C@@H](N)CCC(O)=O
ACDLabs 10.04O=C(C(N)CCC(=O)O)C
CACTVS 3.341CC(=O)[CH](N)CCC(O)=O
Name:(4S)-4-AMINO-5-OXOHEXANOIC ACID;
METHYLKETONE GLUTAMATE
ZINC: ZINC000005883700
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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