BioLiP

PDB

BioLiP

PDB CCD ID:

3E9

Number of entries in BioLiP:

Chemical formula:

C15 H30 O7 P2

InChI:

InChI=1S/C15H30O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+/t15-/m0/s1

InChIKey:

UGQVBUXMCRXOIF-HNRFISLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.7.6	C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O
ACDLabs 12.01	O=P(O)(O)OP(=O)(OCCC(C)CC\C=C(/C)CC\C=C(/C)C)O
CACTVS 3.385	C[C@H](CCO[P](O)(=O)O[P](O)(O)=O)CC\C=C(/C)CCC=C(C)C
CACTVS 3.385	C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)C

Name:

(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate

ZINC:

ZINC000008216158

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).