BioLiP

PDB

BioLiP

PDB CCD ID:

A1L69

Number of entries in BioLiP:

Chemical formula:

C16 H34 N O5 P

InChI:

InChI=1S/C16H34NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h12-13,15-16,18H,2-11,14,17H2,1H3,(H2,19,20,21)/b13-12-/t15-,16+/m1/s1

InChIKey:

IQHNJQKWEMCXAD-AXUOUDRWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCC/C=C\[C@@H]([C@@H](COP(=O)(O)O)N)O
CACTVS 3.385	CCCCCCCCCCC\C=C/[C@H](O)[C@H](N)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O
CACTVS 3.385	CCCCCCCCCCCC=C[CH](O)[CH](N)CO[P](O)(O)=O

Name:

[(~{Z},2~{R},3~{S})-2-azanyl-3-oxidanyl-hexadec-4-enyl] dihydrogen phosphate

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).