BioLiP

PDB

BioLiP

PDB CCD ID:

IC0

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	C=CCCCC(C(=O)O)N
CACTVS 3.385	N[C@@H](CCCC=C)C(O)=O
OpenEye OEToolkits 2.0.7	C=CCCC[C@@H](C(=O)O)N
CACTVS 3.385	N[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, Lydia 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).