17alpha-hydroxyprogesterone (CHEBI:17252)

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CHEBI:17252 - 17α-hydroxyprogesterone

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ChEBI Name	17α-hydroxyprogesterone

ChEBI ID	CHEBI:17252

ChEBI ASCII Name	17alpha-hydroxyprogesterone

Definition	A 17α-hydroxy steroid that is the 17α-hydroxy derivative of progesterone.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11340, CHEBI:790, CHEBI:11339, CHEBI:19173

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

3QZ - Ideal conformer

Mrv1927 06082215533D

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Time for openFile(3QZ - Ideal conformer

Mrv1927 06082215533D

54 57 0 0 0 0 999 V2000

4.8300 1.9830 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.9390 0.6930 1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0

1.9530 0.3670 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0

4.8320 -0.0530 1.3130 O 0 0 0 0 0 0 0 0 0 0 0 0

-6.0530 0.3130 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0

3.6210 0.3560 -1.9020 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.3070 -0.9120 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.3170 -2.1580 0.6280 C 0 0 1 0 0 0 0 0 0 0 0 0

-4.4660 1.6050 0.2150 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.9990 -2.2140 -0.1470 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.1090 1.5300 -0.1800 C 0 0 1 0 0 0 0 0 0 0 0 0

2.0960 -2.1770 -0.0940 C 0 0 1 0 0 0 0 0 0 0 0 0

-2.9710 1.6330 -0.1710 C 0 0 1 0 0 0 0 0 0 0 0 0

1.3150 1.4110 -0.7730 C 0 0 1 0 0 0 0 0 0 0 0 0

3.5390 -1.6350 -0.4840 C 0 0 1 0 0 0 0 0 0 0 0 0

4.3930 0.5620 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0

-5.0410 0.3210 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.0210 -0.8540 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.1710 -0.9670 0.1750 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.9150 0.2470 -0.3590 C 0 0 1 0 0 0 0 0 0 0 0 0

1.1660 -1.0430 -0.5400 C 0 0 1 0 0 0 0 0 0 0 0 0

-2.2440 0.4240 0.3880 C 0 0 2 0 0 0 0 0 0 0 0 0

1.9800 0.2130 -0.1230 C 0 0 2 0 0 0 0 0 0 0 0 0

3.4080 -0.0940 -0.5620 C 0 0 1 0 0 0 0 0 0 0 0 0

5.5390 2.2820 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0

5.3060 2.0550 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0

3.9610 2.6410 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8730 0.8530 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.4160 -0.1630 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.3130 1.5810 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0

0.9230 0.4820 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0

2.3890 -0.5190 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0

2.5290 1.2470 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0

4.5070 0.1700 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.8100 -1.8670 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.9490 -2.9970 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.1140 -2.2040 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.5700 1.6410 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.9810 2.4540 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.4430 -3.1060 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.2070 -2.2480 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0170 1.7460 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6380 2.3520 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8780 -3.1070 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0

2.0150 -2.3150 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8850 1.6620 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.5140 2.5320 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0

1.2570 1.2340 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8760 2.3250 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0

4.2630 -1.9150 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0

3.8410 -2.0390 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0150 -0.8910 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.1180 0.1000 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0

1.0180 -1.0750 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0

16 1 1 0 0 0 0

1 25 1 0 0 0 0

1 26 1 0 0 0 0

1 27 1 0 0 0 0

22 2 1 1 0 0 0

2 28 1 0 0 0 0

2 29 1 0 0 0 0

2 30 1 0 0 0 0

23 3 1 1 0 0 0

3 31 1 0 0 0 0

3 32 1 0 0 0 0

3 33 1 0 0 0 0

4 16 2 0 0 0 0

17 5 2 0 0 0 0

24 6 1 6 0 0 0

6 34 1 0 0 0 0

17 7 1 0 0 0 0

7 18 2 0 0 0 0

7 35 1 0 0 0 0

18 8 1 0 0 0 0

8 10 1 0 0 0 0

8 36 1 0 0 0 0

8 37 1 0 0 0 0

9 13 1 0 0 0 0

9 17 1 0 0 0 0

9 38 1 0 0 0 0

9 39 1 0 0 0 0

19 10 1 0 0 0 0

10 40 1 0 0 0 0

10 41 1 0 0 0 0

11 20 1 0 0 0 0

11 14 1 0 0 0 0

11 42 1 0 0 0 0

11 43 1 0 0 0 0

21 12 1 0 0 0 0

12 15 1 0 0 0 0

12 44 1 0 0 0 0

12 45 1 0 0 0 0

13 22 1 0 0 0 0

13 46 1 0 0 0 0

13 47 1 0 0 0 0

14 23 1 0 0 0 0

14 48 1 0 0 0 0

14 49 1 0 0 0 0

24 15 1 0 0 0 0

15 50 1 0 0 0 0

15 51 1 0 0 0 0

16 24 1 0 0 0 0

22 18 1 0 0 0 0

20 19 1 0 0 0 0

19 21 1 0 0 0 0

19 52 1 1 0 0 0

22 20 1 0 0 0 0

20 53 1 6 0 0 0

23 21 1 0 0 0 0

21 54 1 6 0 0 0

23 24 1 0 0 0 0

M END): 18 ms

reading 54 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

54 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Molfile

Wikipedia	License
[object Object]
Read full article at Wikipedia

Formulae

C21H30O3
C21H30O3

Net Charge

Average Mass

330.468

Monoisotopic Mass

330.21949

InChI

InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

InChIKey

DBPWSSGDRRHUNT-CEGNMAFCSA-N

SMILES

[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. progestin A synthetic progestogen. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	17α-hydroxyprogesterone (CHEBI:17252) has functional parent progesterone (CHEBI:17026) 17α-hydroxyprogesterone (CHEBI:17252) has role human metabolite (CHEBI:77746) 17α-hydroxyprogesterone (CHEBI:17252) has role metabolite (CHEBI:25212) 17α-hydroxyprogesterone (CHEBI:17252) has role mouse metabolite (CHEBI:75771) 17α-hydroxyprogesterone (CHEBI:17252) has role progestin (CHEBI:59826) 17α-hydroxyprogesterone (CHEBI:17252) is a 17α-hydroxy steroid (CHEBI:35342) 17α-hydroxyprogesterone (CHEBI:17252) is a 17α-hydroxy-C₂₁-steroid (CHEBI:138141) 17α-hydroxyprogesterone (CHEBI:17252) is a tertiary α-hydroxy ketone (CHEBI:139592)

IUPAC Name

17-hydroxypregn-4-ene-3,20-dione

INNs	Sources
hidroxiprogesterona	ChemIDplus
hydroxyprogesterone	KEGG DRUG
hydroxyprogesteronum	ChemIDplus

Synonyms	Sources
17-Hydroxypregn-4-en-3,20-dione	NIST Chemistry WebBook
17-hydroxyprogesterone	ChemIDplus
17alpha-Hydroxy-4-pregnene-3,20-dione	KEGG COMPOUND
17alpha-Hydroxy-progesterone	KEGG COMPOUND
17alpha-Hydroxyprogesterone	KEGG COMPOUND
17α-hydroxyprogesterone	UniProt
delta(4)-Pregnene-17alpha-ol-3,20-dione	ChemIDplus
hydroxyprogesterone	ChemIDplus
Pregn-4-ene-3,20-dione-17-ol	KEGG COMPOUND

Manual Xrefs	Databases
17-ALPHA-HYDROXYPROGESTERONE	MetaCyc
17-Hydroxyprogesterone	Wikipedia
3QZ	PDBeChem
C01176	KEGG COMPOUND
D08052	KEGG DRUG
HMDB0000374	HMDB
Hydroxyprogesterone	Wikipedia
LMST02030161	LIPID MAPS
View more database links

Registry Numbers	Types	Sources
2062088	Reaxys Registry Number	Reaxys
68-96-2	CAS Registry Number	ChemIDplus
68-96-2	CAS Registry Number	NIST Chemistry WebBook

Citations	Types	Sources
1167988	PubMed citation	Europe PMC
12915667	PubMed citation	Europe PMC
14999215	PubMed citation	Europe PMC
15863951	PubMed citation	Europe PMC
17066953	PubMed citation	Europe PMC
17096820	PubMed citation	Europe PMC
17128559	PubMed citation	Europe PMC
18573861	PubMed citation	Europe PMC
19390483	PubMed citation	Europe PMC
25301938	PubMed citation	Europe PMC
28539365	PubMed citation	Europe PMC
28980354	PubMed citation	Europe PMC
4339047	PubMed citation	Europe PMC
4343782	PubMed citation	Europe PMC
4628727	PubMed citation	Europe PMC
4678211	PubMed citation	Europe PMC
4678212	PubMed citation	Europe PMC
5061166	PubMed citation	Europe PMC
5065810	PubMed citation	Europe PMC
5098538	PubMed citation	Europe PMC
518278	PubMed citation	Europe PMC
5571099	PubMed citation	Europe PMC
6632812	PubMed citation	Europe PMC
72488	PubMed citation	Europe PMC
8496956	PubMed citation	Europe PMC
9931518	PubMed citation	Europe PMC

Last Modified

08 June 2022

CHEBI:17252 - 17α-hydroxyprogesterone

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