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CHEBI:58177 - testolate

ChEBI IDCHEBI:58177
ChEBI Nametestolate
Stars
DefinitionThe conjugate base of testolic acid; major species at pH 7.3.
Last Modified7 February 2012
DownloadsMolfile
FormulaC19H27O4
Net Charge-1
Average Mass319.421
Monoisotopic Mass319.19148
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@](C)(O)[C@@]2([H])CCC(=O)[O-]
InChIInChI=1S/C19H28O4/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2,23)16(14)5-6-17(21)22/h11,14-16,23H,3-10H2,1-2H3,(H,21,22)/p-1/t14-,15+,16+,18+,19+/m1/s1
InChIKeyKMUJXIPRPXRPTP-DZBHQSCQSA-M
ChEBI Ontology
Outgoing Relation(s)
testolate (CHEBI:58177) is a steroid acid anion (CHEBI:50160)
testolate (CHEBI:58177) is conjugate base of testolic acid (CHEBI:17525)
Incoming Relation(s)
testolic acid (CHEBI:17525) is conjugate acid of testolate (CHEBI:58177)
IUPAC Name 
13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oate
Synonyms  Source
testolate(1−)ChEBI
testolate anionChEBI
UniProt Name  Source
testolateUniProt