CHEBI:31676 - hydrocortisone caproate

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ChEBI Name hydrocortisone caproate
ChEBI ID CHEBI:31676
Definition The 21-O-hexanoyl derivative of hydrocortisone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H40O6
Net Charge 0
Average Mass 460.60290
Monoisotopic Mass 460.28249
InChI InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1
InChIKey XZSVYVIYKBHVMV-FOMYWIRZSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(=O)CCCCC
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 hydrocortisone caproate (CHEBI:31676) has functional parent cortisol (CHEBI:17650)
hydrocortisone caproate (CHEBI:31676) has parent hydride pregnane (CHEBI:8386)
hydrocortisone caproate (CHEBI:31676) is a 11β-hydroxy steroid (CHEBI:35346)
hydrocortisone caproate (CHEBI:31676) is a 17α-hydroxy steroid (CHEBI:35342)
hydrocortisone caproate (CHEBI:31676) is a 20-oxo steroid (CHEBI:36885)
hydrocortisone caproate (CHEBI:31676) is a 3-oxo-Δ4 steroid (CHEBI:47909)
hydrocortisone caproate (CHEBI:31676) is a cortisol ester (CHEBI:23396)
hydrocortisone caproate (CHEBI:31676) is a glucocorticoid (CHEBI:24261)
hydrocortisone caproate (CHEBI:31676) is a hexanoate ester (CHEBI:87656)
hydrocortisone caproate (CHEBI:31676) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl hexanoate
Synonyms Sources
11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-hexanoate ChemIDplus
[2-(11,17-Dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl]hexanoate KEGG COMPOUND
Hydrocortisone caproate KEGG COMPOUND
Manual Xrefs Databases
C13422 KEGG COMPOUND
D09796 KEGG DRUG
LMST02030129 LIPID MAPS
View more database links
Registry Numbers Types Sources
3020664 Beilstein Registry Number Beilstein
3593-96-2 CAS Registry Number KEGG COMPOUND
3593-96-2 CAS Registry Number ChemIDplus
Last Modified
07 February 2018