BioLiP

PDB

BioLiP

PDB CCD ID:

O18

Number of entries in BioLiP:

Chemical formula:

C19 H35 N O4

InChI:

InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1

InChIKey:

BEQLUQLZPXGDLC-QWPQOLDESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C(=O)O)N
CACTVS 3.385	CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCC=CCCCCCCCC(=O)OCC(C(=O)O)N
CACTVS 3.385	CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O

Name:

O-palmitoleoyl serine;
(2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid

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).