CHEBI:166774 - 16-Hydroxyprogesterone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 16-Hydroxyprogesterone
ChEBI ID CHEBI:166774
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O3
Net Charge 0
Average Mass 330.468
Monoisotopic Mass 330.21949
InChI InChI=1S/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18?,19+,20+,21+/m1/s1
InChIKey LOVNYFVWYTXDRE-WMSSUOLPSA-N
SMILES OC1[C@@H]([C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC2)[H])[H])(C1)[H])C)C(=O)C
Roles Classification
Biological Role(s): hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
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ChEBI Ontology
Outgoing 16-Hydroxyprogesterone (CHEBI:166774) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name
(8S,9S,10R,13S,14S,17R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual Xref Database
141479 ChemSpider
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Registry Number Type Source
14264-44-9 CAS Registry Number ChemIDplus