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BioLiP

PDB CCD ID: KAH
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O3
InChI: InChI=1S/C6H13NO3/c1-4(7)5(8)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m1/s1
InChIKey: LUMVYMITQCJEGS-RFZPGFLSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(CCC(=O)O)O)N
CACTVS 3.341C[C@@H](N)[C@H](O)CCC(O)=O
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](CCC(=O)O)O)N
ACDLabs 10.04O=C(O)CCC(O)C(N)C
CACTVS 3.341C[CH](N)[CH](O)CCC(O)=O
Name:5-AMINO-4-HYDROXYHEXANOIC ACID;
4-KETO-5-AMINO-HEXANOIC 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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