BioLiP

PDB

BioLiP

PDB CCD ID:

PMK

Number of entries in BioLiP:

Chemical formula:

C32 H67 O4 P

InChI:

InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29+,30+,31+,32-/m1/s1

InChIKey:

WLNOCCJMGSEDAT-GCIGRYLYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O
ACDLabs 12.01	O=P(OCCCC(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C)(O)O
CACTVS 3.385	CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(O)=O
OpenEye OEToolkits 1.7.6	CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(O)O
CACTVS 3.385	CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCO[P](O)(O)=O

Name:

(4R,8S,16S,20R)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate

ZINC:

ZINC000213029846

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).