CHEBI:228372 - (9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol
ChEBI ID CHEBI:228372
ChEBI ASCII Name (9xi,14xi,25S)-cholestane-3beta,4beta,6beta,7alpha,8,15alpha,16beta,26-octol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H48O8
Net Charge 0
Average Mass 500.673
Monoisotopic Mass 500.33492
InChI InChI=1S/C27H48O8/c1-13(12-28)6-5-7-14(2)17-20(31)22(33)23-26(17,4)11-9-16-25(3)10-8-15(29)19(30)18(25)21(32)24(34)27(16,23)35/h13-24,28-35H,5-12H2,1-4H3/t13-,14+,15-,16?,17-,18?,19-,20+,21-,22-,23?,24+,25+,26+,27-/m0/s1
InChIKey VYOXQPQXOVKJIA-NMTBNCKFSA-N
SMILES [H][C@]1([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](O)C2[C@]1(C)CCC1[C@@]3(C)CC[C@H](O)[C@H](O)C3[C@H](O)[C@@H](O)[C@@]21O
Metabolite of Species Details
Rosaster (NCBI:txid556858) Found in Whole Organism (NCIT:C13413). See: Bruno I., Minale, L., and Riccio, R., and La Barre, S. & Laurent, D. (1990) Isolation and structure of new polyhydroxylated sterols from a deep-water starfish of the genus Rosaster. Gazzetta Chimica Italiana, 120, 449-451.
Roles Classification
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) has role animal metabolite (CHEBI:75767)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) has role antifungal agent (CHEBI:35718)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) has role marine metabolite (CHEBI:76507)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) is a 15α-hydroxy steroid (CHEBI:83147)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) is a 16β-hydroxy steroid (CHEBI:17354)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) is a 26-hydroxy steroid (CHEBI:36852)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) is a 3β-hydroxy steroid (CHEBI:36836)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) is a 4-hydroxy steroid (CHEBI:62846)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) is a 6β-hydroxy steroid (CHEBI:36851)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) is a 7α-hydroxy steroid (CHEBI:36843)
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol (CHEBI:228372) is a 8-hydroxy steroid (CHEBI:139333)
IUPAC Name
(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol
Last Modified
04 January 2024
General Comment
2024-01-04 https://www.researchgate.net/publication/32980701_Isolation_and_structure_of_new_polyhydroxylated_sterols_from_deep-water_starfish_of_genus_Rosaster