CHEBI:20000 - 3-dehydroteasterone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-dehydroteasterone
ChEBI ID CHEBI:20000
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H46O4
Net Charge 0
Average Mass 446.66244
Monoisotopic Mass 446.33961
InChI InChI=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
InChIKey SVBMASFUJDIDJC-XFJIFGBKSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C
ChEBI Ontology
Outgoing 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 Sources
(22R,23R,24S)-22,23-dihydroxy-5α-ergostane-3,6-dione IUPAC
3,6-dioxo-Campestan-22R,23R-diol LIPID MAPS
3-dehydroteasterone UniProt
Manual Xrefs Databases
C00007262 KNApSAcK
C15792 KEGG COMPOUND
LMST01030131 LIPID MAPS
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Registry Number Type Source
3630917 Beilstein Registry Number Beilstein
Last Modified
05 January 2022