CHEBI:50851 - hydrocortamate

ChEBI IDCHEBI:50851
ChEBI Namehydrocortamate
Stars
Last Modified7 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H41NO6
Net Charge0
Average Mass475.626
Monoisotopic Mass475.29339
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1
InChIKeyFWFVLWGEFDIZMJ-FOMYWIRZSA-N
Roles Classification
Biological Roles:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
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.
Applications:
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
ChEBI Ontology
Outgoing Relation(s)
hydrocortamate (CHEBI:50851) has functional parent cortisone (CHEBI:16962)
hydrocortamate (CHEBI:50851) has role anti-inflammatory drug (CHEBI:35472)
hydrocortamate (CHEBI:50851) has role immunosuppressive agent (CHEBI:35705)
hydrocortamate (CHEBI:50851) is a 11β-hydroxy steroid (CHEBI:35346)
hydrocortamate (CHEBI:50851) is a 17α-hydroxy steroid (CHEBI:35342)
hydrocortamate (CHEBI:50851) is a 3-oxo-Δ4 steroid (CHEBI:47909)
hydrocortamate (CHEBI:50851) is a glucocorticoid (CHEBI:24261)
hydrocortamate (CHEBI:50851) is a glycinyl ester (CHEBI:50852)
hydrocortamate (CHEBI:50851) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
hydrocortamate hydrochloride (CHEBI:50854) has functional parent hydrocortamate (CHEBI:50851)
IUPAC Name 
11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate
INNs  Source
hidrocortamatoChemIDplus
hydrocortamateChemIDplus
hydrocortamatumChemIDplus
Synonym  Source
17-Hydroxycorticosterone, 21-(diethylamino)acetateChemIDplus
Manual XrefsDatabases
DB00769DrugBank
1387DrugCentral
Registry NumbersSources
Beilstein:2316706Beilstein
CAS:76-47-1ChemIDplus
CAS:76-47-1NIST Chemistry WebBook