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CHEBI:20000 - 3-dehydroteasterone

ChEBI IDCHEBI:20000
ChEBI Name3-dehydroteasterone
Stars
Last Modified5 January 2022
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILES[H][C@@]12CC(=O)[C@@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C
InChIInChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3/t16-,17-,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
InChIKeySVBMASFUJDIDJC-XFJIFGBKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-dehydroteasterone (CHEBI:20000) has functional parent teasterone (CHEBI:26863)
3-dehydroteasterone (CHEBI:20000) is a (22S)-22-hydroxy C28-steroid (CHEBI:188922)
3-dehydroteasterone (CHEBI:20000) is a 22-hydroxy steroid (CHEBI:36863)
3-dehydroteasterone (CHEBI:20000) is a 23-hydroxy steroid (CHEBI:36866)
3-dehydroteasterone (CHEBI:20000) is a 3-oxo-5α-steroid (CHEBI:13601)
3-dehydroteasterone (CHEBI:20000) is a 6-oxo steroid (CHEBI:36883)
IUPAC Name 
(22R,23R)-22,23-dihydroxy-5α-campestane-3,6-dione
Synonyms  Source
3,6-dioxo-Campestan-22R,23R-diolLIPID MAPS
(22R,23R,24S)-22,23-dihydroxy-5α-ergostane-3,6-dioneIUPAC
UniProt Name  Source
3-dehydroteasteroneUniProt
Manual XrefsDatabases
LMST01030131LIPID MAPS
C15792KEGG COMPOUND
C00007262KNApSAcK
Registry NumbersSources
Beilstein:3630917Beilstein