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CHEBI:40996 - (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID

ChEBI IDCHEBI:40996
ChEBI Name(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID
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Last Modified6 March 2017
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FormulaC20H24O7S
Net Charge0
Average Mass408.472
Monoisotopic Mass408.12427
SMILESCCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
InChIInChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyCXGTZJYQWSUFET-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID (CHEBI:40996) is a benzenes (CHEBI:22712)
(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID (CHEBI:40996) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDPDBeChem
(2S)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acidPDBeChem
Manual XrefsDatabases
AZ2PDBeChem
D01274KEGG DRUG