SEQ2FUN

BioLiP

PDB CCD ID: A1MAK
Number of entries in BioLiP: 2
Chemical formula: C15 H27 O4 P
InChI: InChI=1S/C15H27O4P/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-19-20(16,17)18/h6,12-13H,5,7-10H2,1-4H3,(H2,16,17,18)/t12-,13-,15+/m0/s1
InChIKey: SUUFHHSNBZAZJL-KCQAQPDRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC[CH]2C(C)(C)CCC[C]2(C)[CH]1CO[P](O)(O)=O
CACTVS 3.385CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC1=CCC2C(CCCC2(C1COP(=O)(O)O)C)(C)C
OpenEye OEToolkits 2.0.7CC1=CC[C@@H]2[C@@]([C@H]1COP(=O)(O)O)(CCCC2(C)C)C
Name:drimenyl phosphate;
(2,5,5,8~{a}-tetramethyl-1,2,3,4,4~{a},6,7,8-octahydronaphthalen-1-yl)methyl 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).