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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | pregnenolone | |
| Synonyms |
5-Pregnen-3beta-ol-20-one (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE 3beta-Hydroxypregn-5-en-20-one 3beta-hydroxypregn-5-en-20-one pregnenolone Pregnenolone |
|
| Definitions |
A 20-oxo steroid that is pregn-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 20. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16581 |
|
| charge |
0
|
|
| database_cross_reference |
HMDB:HMDB0000253 Beilstein:2059026 LIPID_MAPS_instance:LMST02030088 Wikipedia:Pregnenolone LINCS:LSM-5550 KEGG:D00143 PDBeChem:PLO DrugBank:DB02789 Reaxys:2059026 KEGG:C01953 CAS:145-13-1 PMID:23572091 PMID:24385629
|
|
| definition |
A 20-oxo steroid that is pregn-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 20.
|
|
| formula |
C21H32O2
|
|
| has parent hydride | ||
| has role | ||
| has_alternative_id |
CHEBI:26241 CHEBI:86573 CHEBI:14881 CHEBI:8388 CHEBI:45027
|
|
| has_exact_synonym |
3beta-hydroxypregn-5-en-20-one pregnenolone Pregnenolone
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
5-Pregnen-3beta-ol-20-one (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE 3beta-Hydroxypregn-5-en-20-one
|
|
| id |
CHEBI:16581
|
|
| in_subset | ||
| inchi |
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
|
|
| inchikey |
ORNBQBCIOKFOEO-QGVNFLHTSA-N
|
|
| label |
pregnenolone
|
|
| mass |
316.47760
|
|
| monoisotopicmass |
316.24023
|
|
| notation |
CHEBI:16581
|
|
| prefLabel |
pregnenolone
|
|
| smiles |
[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_36885 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36885 |
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