Preferred Name

pregnenolone

Synonyms

3beta-hydroxypregn-5-en-20-one

(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE

pregnenolone

5-Pregnen-3beta-ol-20-one

3beta-Hydroxypregn-5-en-20-one

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

LIPID_MAPS_instance:LMST02030088

LINCS:LSM-5550

CAS:145-13-1

HMDB:HMDB0000253

PMID:24385629

KEGG:C01953

PDBeChem:PLO

KEGG:D00143

Wikipedia:Pregnenolone

PMID:23572091

DrugBank:DB02789

Reaxys:2059026

Beilstein:2059026

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

http://purl.obolibrary.org/obo/CHEBI_8386

has role

http://purl.obolibrary.org/obo/CHEBI_75771

http://purl.obolibrary.org/obo/CHEBI_77746

has_alternative_id

CHEBI:86573

CHEBI:8388

CHEBI:45027

CHEBI:14881

CHEBI:26241

has_exact_synonym

3beta-hydroxypregn-5-en-20-one

pregnenolone

Pregnenolone

has_obo_namespace

chebi_ontology

has_related_synonym

(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE

5-Pregnen-3beta-ol-20-one

3beta-Hydroxypregn-5-en-20-one

id

CHEBI:16581

in_subset

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

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_1722

http://purl.obolibrary.org/obo/CHEBI_61313

http://purl.obolibrary.org/obo/CHEBI_36885

subClassOf

http://purl.obolibrary.org/obo/CHEBI_1722

http://purl.obolibrary.org/obo/CHEBI_61313

http://purl.obolibrary.org/obo/CHEBI_36885

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