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CHEBI:109541 - 7-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid

ChEBI IDCHEBI:109541
ChEBI Name7-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid
Stars
DownloadsMolfile
FormulaC18H21F3O5
Net Charge0
Average Mass374.355
Monoisotopic Mass374.13411
SMILESO=C(O)CCCC=CC[C@@H]1CO[C@H](C(F)(F)F)O[C@@H]1c1ccccc1O
InChIInChI=1S/C18H21F3O5/c19-18(20,21)17-25-11-12(7-3-1-2-4-10-15(23)24)16(26-17)13-8-5-6-9-14(13)22/h1,3,5-6,8-9,12,16-17,22H,2,4,7,10-11H2,(H,23,24)/t12-,16+,17+/m1/s1
InChIKeyZWAVGFSZMACJHA-DQYPLSBCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid (CHEBI:109541) is a medium-chain fatty acid (CHEBI:59554)
Manual XrefsDatabases
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