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CHEBI:17525 - testolic acid

ChEBI IDCHEBI:17525
ChEBI Nametestolic acid
Stars
Secondary ChEBI IDsCHEBI:9459, CHEBI:15212, CHEBI:26881
Last Modified10 January 2019
DownloadsMolfile
FormulaC19H28O4
Net Charge0
Average Mass320.429
Monoisotopic Mass320.19876
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)/t14-,15+,16+,18+,19+/m1/s1
InChIKeyKMUJXIPRPXRPTP-DZBHQSCQSA-N
ChEBI Ontology
Outgoing Relation(s)
testolic acid (CHEBI:17525) is a seco-androstane (CHEBI:26616)
testolic acid (CHEBI:17525) is conjugate acid of testolate (CHEBI:58177)
Incoming Relation(s)
testolate (CHEBI:58177) is conjugate base of testolic acid (CHEBI:17525)
IUPAC Name 
13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oic acid
Synonym  Source
TestolateKEGG COMPOUND
Manual XrefsDatabases
C01618KEGG COMPOUND
C01618KEGG COMPOUND