BioLiP

PDB

BioLiP

PDB CCD ID:

4C7

Number of entries in BioLiP:

Chemical formula:

C15 H34 O7 P2

InChI:

InChI=1S/C15H34O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h13-15H,5-12H2,1-4H3,(H,19,20)(H2,16,17,18)/t14-,15+/m0/s1

InChIKey:

QLJFEPYMTKDKMH-LSDHHAIUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C
OpenEye OEToolkits 1.9.2	CC(C)CCCC(C)CCCC(C)CCOP(=O)(O)OP(=O)(O)O
CACTVS 3.385	CC(C)CCC[C@H](C)CCC[C@@H](C)CCO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.385	CC(C)CCC[CH](C)CCC[CH](C)CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 12.01	C(CC(CCCC(C)CCCC(C)C)C)OP(OP(O)(O)=O)(O)=O

Name:

(3R,7S)-3,7,11-trimethyldodecyl trihydrogen diphosphate

ZINC:

ZINC000031977015

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).