EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45496 - 11α-hydroxyprogesterone hemisuccinate

ChEBI IDCHEBI:45496
ChEBI Name11α-hydroxyprogesterone hemisuccinate
Stars
ASCII Name11alpha-hydroxyprogesterone hemisuccinate
DefinitionA steroid ester that is the O-succinoyl derivative of 11α-hydroxyprogesterone.
Last Modified9 November 2017
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@H](OC(=O)CCC(=O)O)C[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25+/m0/s1
InChIKeyJBBNFGYRYNBDIH-DBGGZKJISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
11α-hydroxyprogesterone hemisuccinate (CHEBI:45496) has functional parent 11α-hydroxyprogesterone (CHEBI:16076)
11α-hydroxyprogesterone hemisuccinate (CHEBI:45496) has functional parent succinic acid (CHEBI:15741)
11α-hydroxyprogesterone hemisuccinate (CHEBI:45496) is a 20-oxo steroid (CHEBI:36885)
11α-hydroxyprogesterone hemisuccinate (CHEBI:45496) is a 3-oxo-Δ4 steroid (CHEBI:47909)
11α-hydroxyprogesterone hemisuccinate (CHEBI:45496) is a dicarboxylic acid monoester (CHEBI:36244)
11α-hydroxyprogesterone hemisuccinate (CHEBI:45496) is a hemisuccinate (CHEBI:138979)
11α-hydroxyprogesterone hemisuccinate (CHEBI:45496) is a steroid ester (CHEBI:47880)
Incoming Relation(s)
11α-hydroxyprogesterone hemisuccinoyl group (CHEBI:62093) is substituent group from 11α-hydroxyprogesterone hemisuccinate (CHEBI:45496)
IUPAC Name 
4-{[(11α)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoic acid
Synonyms  Source
PROGESTERONE-11-ALPHA-OL-HEMISUCCINATEPDBeChem
11α-hydroxyprogesterone succinateChEBI
11α-hemisuccinylprogesteroneChemIDplus
11α-hydroxy-4-pregnene-3,20-dione-11-hemisuccinateChemIDplus
progesterone 11-hemisuccinateChemIDplus
progesterone-11α-hemisuccinateChEBI
Manual XrefsDatabases
SIHPDBeChem
DB08547DrugBank
Registry NumbersSources
Reaxys:5160438Reaxys
CAS:62624-72-0ChemIDplus
Citations