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BioLiP

PDB CCD ID: PYL
Number of entries in BioLiP: 3
Chemical formula: C12 H21 N3 O3
InChI: InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1
InChIKey: ZFOMKMMPBOQKMC-KXUCPTDWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NCCCCC(C(=O)O)N)C1N=CCC1C
OpenEye OEToolkits 1.7.6CC1CC=NC1C(=O)NCCCCC(C(=O)O)N
CACTVS 3.385C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.385C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O
Name:PYRROLYSINE
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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