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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | digoxigenin | |
| Synonyms |
3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide |
|
| Definitions |
A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_42098 |
|
| charge |
0
|
|
| database_cross_reference |
MetaCyc:CPD-22579 PMID:23383657 PMID:10438974 PDBeChem:DOG CAS:1672-46-4 PMID:23344238 HMDB:HMDB0060731 PMID:9470094 PMID:8080093 Wikipedia:Digoxigenin LIPID_MAPS_instance:LMST01120008
|
|
| definition |
A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.
|
|
| formula |
C23H34O5
|
|
| has parent hydride | ||
| has role | ||
| has_alternative_id |
CHEBI:42096 CHEBI:38020
|
|
| has_exact_synonym |
3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:42098
|
|
| in_subset | ||
| inchi |
InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
|
|
| inchikey |
SHIBSTMRCDJXLN-KCZCNTNESA-N
|
|
| is conjugate acid of | ||
| label |
digoxigenin
|
|
| mass |
390.51306
|
|
| monoisotopicmass |
390.24062
|
|
| notation |
CHEBI:42098
|
|
| prefLabel |
digoxigenin
|
|
| smiles |
[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_36836 http://purl.obolibrary.org/obo/CHEBI_36862 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36836 http://purl.obolibrary.org/obo/CHEBI_36862 |
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