9-HOTrE
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9-HOTrE
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CAS No:
89886-42-0
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Formula:
C18H30O3
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Chemical Name:
9-HOTrE
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Synonyms:
10,12,15-Octadecatrienoic acid,9-hydroxy-,(9S,10E,12Z,15Z)-;10,12,15-Octadecatrienoic acid,9-hydroxy-,[S-(E,Z,Z)]-;(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid;(S)-9-Hydroxy-10E,12Z,15Z-octadecatrienoic acid;9(S)-Hydroxy-10(E),12(Z),15(Z)-octadecatrienoic acid;9-HOTrE;9(S)-Hydroxy-10E,12Z,15Z-octadecatrienoic acid;9S-Hydroxy-10E,12Z,15Z-octadecatrienoic acid
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CAS No:
9-HOTrE Use and Manufacturing
9(S)-HOTrE is a monohydroxy polyunsaturated fatty acid produced by the action of 5-lipoxygenase on α-linolenic acid. 9(S)-HOTrE is predominantly localized in cellular ester lipids of Glechoma hederacea leaves and is partially released during artificial dehydration. The biological role of 9(S)-HOTrE in G. hederacea leaves is still undetermined, but it may play a role in natural senescence. 9(S)-HOTrE is an inhibitor of spore germination and germ tube elongation of rice blast fungus with ED50 values of 45 and 30 ppm, respectively.[Cayman Chemical]
Computed Properties
Molecular Weight:294.4
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:13
Exact Mass:294.21949481
Monoisotopic Mass:294.21949481
Topological Polar Surface Area:57.5
Heavy Atom Count:21
Complexity:329
Defined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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