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BioLiP

PDB CCD ID: IC0
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O2
InChI: InChI=1S/C7H13NO2/c1-2-3-4-5-6(8)7(9)10/h2,6H,1,3-5,8H2,(H,9,10)/t6-/m0/s1
InChIKey: OOOVDVSHGOKTNT-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C=CCCCC(C(=O)O)N
CACTVS 3.385N[C@@H](CCCC=C)C(O)=O
OpenEye OEToolkits 2.0.7C=CCCC[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCCC=C)C(O)=O
Name:Fmoc-(S)-2-(4-pentenyl)-glycine;
(2S)-2-azanylhept-6-enoic acid
ZINC: ZINC000002388370
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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