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Summary Geometry Related PDB entries

YK6

Summary

Name:	diepoxidized farnesyl acetate
Synonyms:	[(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate
Formula:	C17 H28 O4
Formal charge:	0
Formula weight:	296.402 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C17H28O4/c1-12(9-11-19-13(2)18)6-7-15-17(5,21-15)10-8-14-16(3,4)20-14/h9,14-15H,6-8,10-11H2,1-5H3/b12-9+/t14-,15+,17+/m1/s1
InChIKey	InChI	1.06	JCUWUSJETGUZTN-XAYFXWAJSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)OC/C=C(C)/CC[C@@H]1O[C@@]1(C)CC[C@H]2OC2(C)C
SMILES	CACTVS	3.385	CC(=O)OCC=C(C)CC[CH]1O[C]1(C)CC[CH]2OC2(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C/C(=C\COC(=O)C)/CC[C@H]1[C@](O1)(C)CC[C@@H]2C(O2)(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC(=CCOC(=O)C)CCC1C(O1)(C)CCC2C(O2)(C)C

247536

PDB entries from 2026-01-14

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