CHEBI:16653 - cycloeucalenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cycloeucalenol
ChEBI ID CHEBI:16653
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4000, CHEBI:14046, CHEBI:23458
Supplier Information ChemicalBook:CB9853344, eMolecules:500537, ZINC000001693315
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1
InChIKey HUNLTIZKNQDZEI-PGFZVWMDSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4(C)CC[C@H]([C@H](C)CCC(=C)C(C)C)[C@@]4(C)CC[C@]33C[C@]13CC[C@H](O)[C@H]2C
ChEBI Ontology
Outgoing cycloeucalenol (CHEBI:16653) has parent hydride 5α-ergostane (CHEBI:20652)
cycloeucalenol (CHEBI:16653) is a 3β-sterol (CHEBI:35348)
cycloeucalenol (CHEBI:16653) is a pentacyclic triterpenoid (CHEBI:25872)
cycloeucalenol (CHEBI:16653) is a phytosterols (CHEBI:26125)
IUPAC Name
4α,14-dimethyl-9β,19-cyclo-5α-ergost-24(28)-en-3β-ol
Synonyms Sources
3beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol ChEBI
Cycloeucalenol KEGG COMPOUND
cycloeucalenol UniProt
cycloleucalenol ChEBI
Manual Xrefs Databases
C00007367 KNApSAcK
C02141 KEGG COMPOUND
View more database links
Registry Number Type Source
469-39-6 CAS Registry Number KEGG COMPOUND
Last Modified
13 April 2015