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CHEBI:79691 - 3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester

ChEBI IDCHEBI:79691
ChEBI Name3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester
Stars
DownloadsMolfile
FormulaC23H37O5P
Net Charge0
Average Mass424.518
Monoisotopic Mass424.23786
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)C(P(=O)(O)OCC)C[C@@]21[H]
InChIInChI=1S/C23H37O5P/c1-5-28-29(26,27)20-13-19-17-7-6-15-12-16(25)8-10-22(15,3)18(17)9-11-23(19,4)21(20)14(2)24/h6,16-21,25H,5,7-13H2,1-4H3,(H,26,27)/t16-,17+,18-,19-,20?,21-,22-,23-/m0/s1
InChIKeyYTHYJGZYFUJIFJ-NIPOZLBPSA-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)
3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester (CHEBI:79691) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl esterKEGG COMPOUND
Manual XrefsDatabases
C15173KEGG COMPOUND