CHEBI:188784 - testosterone ketolaurate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name testosterone ketolaurate
ChEBI ID CHEBI:188784
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H48O4
Net Charge 0
Average Mass 484.721
Monoisotopic Mass 484.35526
InChI InChI=1S/C31H48O4/c1-4-5-6-7-8-9-10-11-23(32)21-29(34)35-28-15-14-26-25-13-12-22-20-24(33)16-18-30(22,2)27(25)17-19-31(26,28)3/h20,25-28H,4-19,21H2,1-3H3/t25-,26-,27-,28-,30-,31-/m0/s1
InChIKey LTGBMQYUNNUCHA-DQUDHZTESA-N
SMILES O([C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC2)[H])[H])(CC1)[H])C)C(=O)CC(=O)CCCCCCCCC
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing testosterone ketolaurate (CHEBI:188784) is a steroid ester (CHEBI:47880)
IUPAC Name
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-oxododecanoate
Manual Xrefs Databases
61901 ChemSpider
D06085 KEGG DRUG
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Registry Number Type Source
5874-98-6 CAS Registry Number ChemIDplus