BioLiP

PDB

BioLiP

PDB CCD ID:

432

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O4

InChI:

InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1

InChIKey:

HTDGDRZVMBNEMO-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCCC(=O)OCC(C(=O)O)N
CACTVS 3.385	CCCC(=O)OC[CH](N)C(O)=O
CACTVS 3.385	CCCC(=O)OC[C@H](N)C(O)=O
ACDLabs 12.01	O=C(OCC(C(=O)O)N)CCC
OpenEye OEToolkits 1.9.2	CCCC(=O)OC[C@@H](C(=O)O)N

Name:

O-butanoyl-L-serine

ZINC:

ZINC000043131376

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).