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

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ChEBI Name 7-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid
ChEBI ID CHEBI:109541
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H21F3O5
Net Charge 0
Average Mass 374.352
Monoisotopic Mass 374.13411
InChI InChI=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
InChIKey ZWAVGFSZMACJHA-DQYPLSBCSA-N
SMILES C1[C@H]([C@H](O[C@H](O1)C(F)(F)F)C2=CC=CC=C2O)CC=CCCCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-20946 LINCS
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