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BioLiP

PDB CCD ID: ZS8
Number of entries in BioLiP: 0
Chemical formula: C11 H19 N O2
InChI: InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKey: IEDCXEQAWYUWSL-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC#CCCCCC[C](C)(N)C(O)=O
OpenEye OEToolkits 2.0.4CC#CCCCCCC(C)(C(=O)O)N
OpenEye OEToolkits 2.0.4CC#CCCCCC[C@@](C)(C(=O)O)N
ACDLabs 12.01NC(C(=O)O)(C)CCCCCC#CC
CACTVS 3.385CC#CCCCCC[C@](C)(N)C(O)=O
Name:(2S)-2-amino-2-methyldec-8-ynoic acid
ZINC: ZINC000584905720
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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