CHEBI:20714 - 6-deoxycathasterone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-deoxycathasterone
ChEBI ID CHEBI:20714
Definition A 3β-hydroxy steroid that is cathasterone which is lacking the oxo substituent at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H50O2
Net Charge 0
Average Mass 418.69540
Monoisotopic Mass 418.38108
InChI InChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKey ZHZKWZJLUNXOSN-YUZBOUAZSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@H](O)C[C@@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
ChEBI Ontology
Outgoing 6-deoxycathasterone (CHEBI:20714) has functional parent cathasterone (CHEBI:23057)
6-deoxycathasterone (CHEBI:20714) has parent hydride 5α-campestane (CHEBI:20640)
6-deoxycathasterone (CHEBI:20714) is a (22S)-22-hydroxy C28-steroid (CHEBI:188922)
6-deoxycathasterone (CHEBI:20714) is a 22-hydroxy steroid (CHEBI:36863)
6-deoxycathasterone (CHEBI:20714) is a 3β-hydroxy steroid (CHEBI:36836)
6-deoxycathasterone (CHEBI:20714) is a brassinosteroid (CHEBI:22921)
6-deoxycathasterone (CHEBI:20714) is a C28-steroid (CHEBI:188921)
IUPAC Name
(22S)-5α-campestane-3β,22-diol
Synonyms Sources
6-Deoxocathasterone LIPID MAPS
6-deoxycathasterone UniProt
Manual Xrefs Databases
C00007277 KNApSAcK
C15798 KEGG COMPOUND
CPD-712 MetaCyc
LMST01030124 LIPID MAPS
View more database links
Registry Numbers Types Sources
7878139 Beilstein Registry Number Beilstein
7878139 Reaxys Registry Number Reaxys
Last Modified
17 December 2021