(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid

PubChem CID: 10957878

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Compound Synonyms	(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid, (11s,12s,13s)-(9z,15z)-11-hydroxy-12,13-epoxyoctadeca-9,15-dienoic acid
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	22.0
Description	(11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid can be found in rice, which makes (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid a potential biomarker for the consumption of this food product.
Isotope Atom Count	0.0
Molecular Complexity	362.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Iupac Name	(Z,11S)-11-hydroxy-11-[(2S,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-9-enoic acid
Prediction Hob	0.0
Class	Fatty Acyls
Xlogp	3.9
Superclass	Lipids and lipid-like molecules
Subclass	Fatty acids and conjugates
Molecular Formula	C18H30O4
Prediction Swissadme	0.0
Inchi Key	XHMGEKKHSKIGMI-AUBGSNCASA-N
Fcsp3	0.7222222222222222
Logs	-3.316
Rotatable Bond Count	13.0
Logd	2.485
Synonyms	12(S),13(S)-EPOXY-11(S)-HYDROXY-OCTADECA-CIS-9,CIS15-DIEN-1-OIC-ACID, (9Z,11S)-11-Hydroxy-11-[(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl]undec-9-enoate, (11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-Oate
Compound Name	(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	310.214
Formal Charge	0.0
Monoisotopic Mass	310.214
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	310.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	2.0
Molecular Framework	Aliphatic heteromonocyclic compounds
Esol	-3.363690799999999
Inchi	InChI=1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h3,9-10,12,15-16,18-19H,2,4-8,11,13-14H2,1H3,(H,20,21)/b9-3-,12-10-/t15-,16-,18-/m0/s1
Smiles	CC/C=C\C[C@H]1[C@@H](O1)[C@H](/C=C\CCCCCCCC(=O)O)O
Nring	1.0
Defined Bond Stereocenter Count	2.0
Taxonomy Direct Parent	Long-chain fatty acids

1. Outgoing r'ship FOUND_IN to/from Alstonia Neriifolia (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Ardisia Neriifolia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Avena Sativa (Plant) Rel Props:Reference:
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8. Outgoing r'ship FOUND_IN to/from Dioscorea Sativa (Plant) Rel Props:Reference:
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10. Outgoing r'ship FOUND_IN to/from Eruca Sativa (Plant) Rel Props:Reference:
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14. Outgoing r'ship FOUND_IN to/from Glycosmis Chlorosperma (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Glycosmis Mauritiana (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Glycosmis Montana (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Glycosmis Ovoidea (Plant) Rel Props:Reference:
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34. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
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52. Outgoing r'ship FOUND_IN to/from Senecio Coahuilensis (Plant) Rel Props:Reference:
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67. Outgoing r'ship FOUND_IN to/from Senecio Integerrimus (Plant) Rel Props:Reference:
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69. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
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81. Outgoing r'ship FOUND_IN to/from Senecio Nemorensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Senecio Othonniformis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Senecio Paucicazyculatus (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Senecio Platyphylloides (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Senecio Platyphyllus (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Thevetia Neriifolia (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Vicia Sativa (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Viola Betonicifolia (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Viola Biflora (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Viola Canescens (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Viola Cinerea (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Viola Diffusa (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Viola Hondoensis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Viola Mandshurica (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Viola Odorata (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Viola Patrinii (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Viola Philippica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
130. Outgoing r'ship FOUND_IN to/from Viola Pilosa (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Viola Placida (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Viola Serpens (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Viola Suffruticosa (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Viola Sylvatica (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Viola Sylvestris (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Viola Tricolor (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Ziziphus Sativa (Plant) Rel Props:Reference:

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(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid

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Phytochemical Properties

Associated Connections 137

Plant Connections 137