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CHEBI:5812 - Hydroxyprogesterone caproate

Default Structure
ChEBI IDCHEBI:5812
ChEBI NameHydroxyprogesterone caproate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCCCC)C(C)=O
InChIInChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKeyDOMWKUIIPQCAJU-LJHIYBGHSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
Hydroxyprogesterone caproate (CHEBI:5812) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
17alpha-Caproyloxypregn-4-ene-3,20-dioneKEGG COMPOUND
17alpha-hydroxyprogesteroneDrugCentral
17-alpha-hydroxy-progesterone caproateDrugCentral
17alpha-Hydroxyprogesterone hexanoateDrugCentral
delalutinDrugCentral
gestagenoDrugCentral
Manual XrefsDatabases
4189DrugCentral
C08148KEGG COMPOUND
D00949KEGG DRUG
Registry NumbersSources
CAS:630-56-8KEGG COMPOUND