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BioLiP Library

PDB CCD ID: A1ALE
Number of entries in BioLiP: 0
Chemical formula: C9 H18 N2 O3
InChI: InChI=1S/C9H18N2O3/c1-11(2)8(12)6-4-3-5-7(10)9(13)14/h7H,3-6,10H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKey: PZGZIGICAVVNEB-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)C(=O)CCCCC(C(=O)O)N
ACDLabs 12.01NC(CCCCC(=O)N(C)C)C(=O)O
CACTVS 3.385CN(C)C(=O)CCCC[CH](N)C(O)=O
CACTVS 3.385CN(C)C(=O)CCCC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CN(C)C(=O)CCCC[C@@H](C(=O)O)N
Name:(2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic 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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