Preferred Name

spironolactone

Synonyms

spironolactone

7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone

espironolactona

spironolattone

Spironolactone

spironolactonum

Definitions

A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.

ID

http://purl.obolibrary.org/obo/CHEBI_9241

charge

0

database_cross_reference

Wikipedia:Spironolactone

Patent:US3013012

Beilstein:57767

CAS:52-01-7

HMDB:HMDB0014565

Drug_Central:2475

PMID:11300427

PDBeChem:SNL

DrugBank:DB00421

KEGG:C07310

KEGG:D00443

Reaxys:57767

definition

A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.

formula

C24H32O4S

has role

http://purl.obolibrary.org/obo/CHEBI_35703

http://purl.obolibrary.org/obo/CHEBI_50844

http://purl.obolibrary.org/obo/CHEBI_35674

http://purl.obolibrary.org/obo/CHEBI_78298

http://purl.obolibrary.org/obo/CHEBI_35498

has_alternative_id

CHEBI:45692

has_exact_synonym

7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone

Spironolactone

has_obo_namespace

chebi_ontology

has_related_synonym

spironolactone

espironolactona

spironolattone

spironolactonum

id

CHEBI:9241

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1

inchikey

LXMSZDCAJNLERA-ZHYRCANASA-N

label

spironolactone

mass

416.57448

monoisotopicmass

416.20213

notation

CHEBI:9241

prefLabel

spironolactone

smiles

[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]33CCC(=O)O3)[C@]1([H])[C@@H](CC1=CC(=O)CC[C@]21C)SC(C)=O

treeView

http://purl.obolibrary.org/obo/CHEBI_51277

http://purl.obolibrary.org/obo/CHEBI_47909

http://purl.obolibrary.org/obo/CHEBI_37948

http://purl.obolibrary.org/obo/CHEBI_26766

subClassOf

http://purl.obolibrary.org/obo/CHEBI_51277

http://purl.obolibrary.org/obo/CHEBI_47909

http://purl.obolibrary.org/obo/CHEBI_37948

http://purl.obolibrary.org/obo/CHEBI_26766

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http://purl.bioontology.org/ontology/RCD/b43.. RCD LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C840 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C840 NCIT LOOM
http://purl.bioontology.org/ontology/SNMI/C-72420 SNMI LOOM
http://purl.jp/bio/4/id/200906028579154843 IOBC LOOM
http://purl.bioontology.org/ontology/LNC/LP16280-7 LOINC LOOM
http://purl.bioontology.org/ontology/CSP/2794-2536 CRISP LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.745.745.855 RH-MESH LOOM
http://purl.bioontology.org/ontology/MESH/D013148 MESH LOOM
https://bioportal.bioontology.org/ontologies/FTDM.owl#spironolactone FASTO LOOM
http://www.ifomis.org/acgt/1.0#Spironolactone ACGT-MO LOOM
http://purl.bioontology.org/ontology/UATC/C03DA01 ATC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.540.679 RH-MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU003227 LOINC LOOM
http://www.drugbank.ca/drugs/DB00421 FTC LOOM
http://purl.bioontology.org/ontology/VANDF/4017881 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146234 NDFRT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D013148 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_9241 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_9241 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9241 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_9241 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9241 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_9241 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9241 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_9241 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/XCO_0000627 XCO LOOM
http://purl.obolibrary.org/obo/XCO_0000627 XCO LOOM
http://www.co-ode.org/ontologies/galen#Spironolactone GALEN LOOM
http://purl.bioontology.org/ontology/RXNORM/9997 RXNORM LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387078006 SNOMEDCT LOOM
http://bmi.utah.edu/ontologies/hfontology/C0037982 HFO LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000039444 PDQ LOOM
http://stirdf.jst.go.jp/id/200907023665510166 IOBC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0037982 OCHV LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#11637 OCHV LOOM