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> Main
CHEBI:763 - algestone
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ChEBI Ontology
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ChEBI Name
algestone
ChEBI ID
CHEBI:763
Definition
A C
21
-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H30O4
Net Charge
0
Average Mass
346.46050
Monoisotopic Mass
346.21441
InChI
InChI=1S/C21H30O4/c1-
12(22)
21(25)
18(24)
11-
17-
15-
5-
4-
13-
10-
14(23)
6-
8-
19(13,2)
16(15)
7-
9-
20(17,21)
3/h10,15-
18,24-
25H,4-
9,11H2,1-
3H3/t15-
,16+,17+,18-
,19+,20+,21-
/m1/s1
InChIKey
CXDWHYOBSJTRJU-SRWWVFQWSA-N
SMILES
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@@H](O)[C@]1(O)C(C)=O
Roles Classification
Biological Role
(s):
progestin
A synthetic progestogen.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
algestone (
CHEBI:763
)
has parent hydride
pregnane (
CHEBI:8386
)
algestone (
CHEBI:763
)
has role
progestin (
CHEBI:59826
)
algestone (
CHEBI:763
)
is a
16α-hydroxy steroid (
CHEBI:16799
)
algestone (
CHEBI:763
)
is a
17-hydroxy steroid (
CHEBI:36838
)
algestone (
CHEBI:763
)
is a
20-oxo steroid (
CHEBI:36885
)
algestone (
CHEBI:763
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
algestone (
CHEBI:763
)
is a
C
21
-steroid (
CHEBI:61313
)
algestone (
CHEBI:763
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
Incoming
16α,17α-dihydroxyprogesterone acetophenide (
CHEBI:34168
)
has functional parent
algestone (
CHEBI:763
)
algestone acetonide (
CHEBI:49320
)
has functional parent
algestone (
CHEBI:763
)
IUPAC Name
16α,17-dihydroxypregn-4-ene-3,20-dione
INNs
Sources
algestona
ChemIDplus
algestone
ChemIDplus
algestonum
ChemIDplus
Synonyms
Sources
16α,17α-dihydroxyprogesterone
UniProt
Algestone
KEGG COMPOUND
Alphasone
ChemIDplus
Manual Xrefs
Databases
Algestone
Wikipedia
C06391
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
3165175
Reaxys Registry Number
Reaxys
3165175
Beilstein Registry Number
Beilstein
595-77-7
CAS Registry Number
KEGG COMPOUND
595-77-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
3139577
PubMed citation
Europe PMC
Last Modified
06 February 2018