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CHEBI:62042 - progesterone 3-O-(carboxymethyl)oxime

Default Structure
ChEBI IDCHEBI:62042
ChEBI Nameprogesterone 3-O-(carboxymethyl)oxime
Stars
ASCII Nameprogesterone 3-O-(carboxymethyl)oxime
DefinitionAn oxime O-ether consisting of progesterone having an O-(carboxymethyl)oxime group at the 3-position.
Last Modified17 May 2011
SubmitterSteve
DownloadsMolfile
FormulaC23H33NO4
Net Charge0
Average Mass387.520
Monoisotopic Mass387.24096
SMILES[H][C@@]12CCC3=CC(=NOCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)/t17-,18+,19-,20-,22-,23+/m0/s1
InChIKeyPPELYUTTZHLIAZ-CSPZMSETSA-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)
progesterone 3-O-(carboxymethyl)oxime (CHEBI:62042) has functional parent progesterone (CHEBI:17026)
progesterone 3-O-(carboxymethyl)oxime (CHEBI:62042) is a 20-oxo steroid (CHEBI:36885)
progesterone 3-O-(carboxymethyl)oxime (CHEBI:62042) is a monocarboxylic acid (CHEBI:25384)
progesterone 3-O-(carboxymethyl)oxime (CHEBI:62042) is a oxime O-ether (CHEBI:36816)
Incoming Relation(s)
17-hydroxyprogesterone 3-O-(carboxymethyl)oxime (CHEBI:62110) has functional parent progesterone 3-O-(carboxymethyl)oxime (CHEBI:62042)
IUPAC Name 
{[(20-oxopregn-4-en-3-ylidene)amino]oxy}acetic acid
Synonyms  Source
P4 3-carboxymethyloximeChEBI
P4-3-CMOChEBI
progesterone 3-carboxymethyloximeChEBI
Registry NumbersSources
Reaxys:6241892Reaxys
CAS:50909-89-2ChemIDplus
Citations