CHEBI:27495 - inokosterone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name inokosterone
ChEBI ID CHEBI:27495
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5925, CHEBI:24831
Supplier Information
Download Molfile XML SDF
Formula C27H44O7
Net Charge 0
Average Mass 480.63406
Monoisotopic Mass 480.30870
InChI InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1
InChIKey JQNVCUBPURTQPQ-GYVHUXHASA-N
SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO
ChEBI Ontology
Outgoing inokosterone (CHEBI:27495) is a 14α-hydroxy steroid (CHEBI:36861)
inokosterone (CHEBI:27495) is a 2β-hydroxy steroid (CHEBI:36859)
inokosterone (CHEBI:27495) is a 20-hydroxy steroid (CHEBI:36854)
inokosterone (CHEBI:27495) is a 22-hydroxy steroid (CHEBI:36863)
inokosterone (CHEBI:27495) is a 26-hydroxy steroid (CHEBI:36852)
inokosterone (CHEBI:27495) is a 3β-hydroxy steroid (CHEBI:36836)
inokosterone (CHEBI:27495) is a 6-oxo steroid (CHEBI:36883)
inokosterone (CHEBI:27495) is a phytoecdysteroid (CHEBI:26118)
IUPAC Name
(22R,25R)-2β,3β,14,20,22,26-hexahydroxy-5β-cholest-7-en-6-one
Synonym Source
Inokosterone KEGG COMPOUND
Manual Xrefs Databases
C00003655 KNApSAcK
C08819 KEGG COMPOUND
C16992 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
15130-85-5 CAS Registry Number KEGG COMPOUND
15130-85-5 CAS Registry Number ChemIDplus
23261-09-8 CAS Registry Number KEGG COMPOUND
7753493 Beilstein Registry Number Beilstein
Last Modified
04 August 2014