BioLiP

PDB

BioLiP

PDB CCD ID:

1IC

Number of entries in BioLiP:

Chemical formula:

C11 H21 N O4

InChI:

InChI=1S/C11H21NO4/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m1/s1

InChIKey:

QQWGFKGHHSBYPK-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCC(=O)OCC(C(=O)O)N
ACDLabs 12.01	OC(=O)C(N)COC(=O)CCCCCCC
CACTVS 3.385	CCCCCCCC(=O)OC[C@@H](N)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCC(=O)OC[C@H](C(=O)O)N
CACTVS 3.385	CCCCCCCC(=O)OC[CH](N)C(O)=O

Name:

O-octanoyl-D-serine

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).