CHEBI:17525 - testolic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name testolic acid
ChEBI ID CHEBI:17525
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9459, CHEBI:15212, CHEBI:26881
Supplier Information
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Formula C19H28O4
Net Charge 0
Average Mass 320.42322
Monoisotopic Mass 320.19876
InChI InChI=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
InChIKey KMUJXIPRPXRPTP-DZBHQSCQSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@](C)(O)[C@@]2([H])CCC(O)=O
ChEBI Ontology
Outgoing testolic acid (CHEBI:17525) is a seco-androstane (CHEBI:26616)
testolic acid (CHEBI:17525) is conjugate acid of testolate (CHEBI:58177)
Incoming 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
Testolate KEGG COMPOUND
Manual Xref Database
C01618 KEGG COMPOUND
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Last Modified
10 January 2019