(5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid
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![(5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b4338e1998fe4551900bc5dd700f28f1.png "(5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid")
(5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid
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CAS No:
135819-58-8
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Formula:
C25H42N2O7S
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Chemical Name:
(5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid
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Synonyms:
Hepoxillin A3-D; 8,12-Dihydroxy-11-cysteinylglycinyleicosa-5,9,14-trienoic acid; Glycine,N-(S-(10-carboxy-4-hydroxy-1-(1-hydroxy-3-nonenyl)-2,6-decadienyl)-L-cysteinyl); Hxa3-D;
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CAS No:
(5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid Basic Attributes
514.67500
514.27127286
Computed Properties
Molecular Weight:514.7
XLogP3:0.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:21
Exact Mass:514.27127286
Monoisotopic Mass:514.27127286
Topological Polar Surface Area:196
Heavy Atom Count:35
Complexity:697
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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