CHEBI:20710 - 3-dehydro-6-deoxoteasterone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-dehydro-6-deoxoteasterone
ChEBI ID CHEBI:20710
Definition 6-Deoxoteasterone in which the hydroxy group at position 3 has been oxidised to the corresponding ketone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000030729852
Download Molfile XML SDF
Formula C28H48O3
Net Charge 0
Average Mass 432.67892
Monoisotopic Mass 432.36035
InChI InChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-19,21-26,30-31H,7-15H2,1-6H3/t17-,18-,19-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1
InChIKey URNVSZVQLKHKDE-WAFXAADMSA-N
SMILES [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2
ChEBI Ontology
Outgoing 3-dehydro-6-deoxoteasterone (CHEBI:20710) has functional parent teasterone (CHEBI:26863)
3-dehydro-6-deoxoteasterone (CHEBI:20710) is a 22-hydroxy steroid (CHEBI:36863)
3-dehydro-6-deoxoteasterone (CHEBI:20710) is a 23-hydroxy steroid (CHEBI:36866)
3-dehydro-6-deoxoteasterone (CHEBI:20710) is a 3-oxo-5α-steroid (CHEBI:13601)
3-dehydro-6-deoxoteasterone (CHEBI:20710) is a brassinosteroid (CHEBI:22921)
IUPAC Name
(22R,23R)-22,23-dihydroxy-5α-campestan-3-one
Synonyms Sources
(22R,23R,24S)-22,23-dihydroxy-5α-ergostan-3-one IUPAC
(5α,22R,23R,24S)-22,23-dihydroxyergostan-3-one ChEBI
3-dehydro-6-deoxoteasterone UniProt
3-oxo-campestan-22R,23R-diol LIPID MAPS
Manual Xrefs Databases
C00007274 KNApSAcK
C15800 KEGG COMPOUND
LMST01030125 LIPID MAPS
View more database links
Registry Number Type Source
7387822 Beilstein Registry Number Beilstein
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Last Modified
03 January 2022