SEQ2FUN

BioLiP

PDB CCD ID: MEI
Number of entries in BioLiP: 1
Chemical formula: C16 H28 O3
InChI: InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1
InChIKey: MNYBEULOKRVZKY-ATCPXPEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\C
OpenEye OEToolkits 1.5.0CC(CCCC(C)(C)OC)CC=CC(=CC(=O)O)C
CACTVS 3.341COC(C)(C)CCC[C@H](C)C\C=C\C(C)=C\C(O)=O
CACTVS 3.341COC(C)(C)CCC[CH](C)CC=CC(C)=CC(O)=O
ACDLabs 10.04O=C(O)\C=C(\C=C\CC(CCCC(OC)(C)C)C)C
Name:(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID;
METOPRENIC ACID
DrugBank: DB08175
ZINC: ZINC000002244163
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).