F24

(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid

Created:2005-12-23
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count3
Bond Count52
Aromatic Bond Count0
2D diagram of F24
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Chemical Component Summary

Name(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
SynonymsAntibiotic 1233A, Bound Form
Systematic Name (OpenEye OEToolkits)(7R,12R,13R)-13-(hydroxymethyl)-3,5,7-trimethyl-12-oxidanyl-14-oxidanylidene-tetradeca-2,4-dienoic acid
FormulaC18 H30 O5
Molecular Weight326.428
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)\C=C(\C=C(/C)CC(CCCCC(O)C(C=O)CO)C)C
SMILESCACTVS3.370C[CH](CCCC[CH](O)[CH](CO)C=O)CC(C)=CC(C)=CC(O)=O
SMILESOpenEye OEToolkits1.7.6CC(CCCCC(C(CO)C=O)O)CC(=CC(=CC(=O)O)C)C
Canonical SMILESCACTVS3.370 C[C@H](CCCC[C@@H](O)[C@@H](CO)C=O)CC(/C)=C/C(C)=C/C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C
InChIInChI1.03 InChI=1S/C18H30O5/c1-13(8-14(2)9-15(3)10-18(22)23)6-4-5-7-17(21)16(11-19)12-20/h9-11,13,16-17,20-21H,4-8,12H2,1-3H3,(H,22,23)/b14-9+,15-10?/t13-,16-,17-/m1/s1
InChIKeyInChI1.03 CJCDMTWCUXKYGF-QPILVHKNSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07740 
Name(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
Groups experimental
Synonyms(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Hydroxymethylglutaryl-CoA synthase, cytoplasmicMPGSLPLNAEACWPKDVGIVALEIYFPSQYVDQAELEKYDGVDAGKYTIG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682