CHEBI:138307 - (3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene
ChEBI ID CHEBI:138307
ChEBI ASCII Name (3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene
Definition A squalene triterpenoid obtained by epoxidation accross the 2,3- and 22,23-double bonds of squalene.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB3395075
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.718
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+/t27-,28-/m0/s1
InChIKey KABSNIWLJXCBGG-OQSIWNGOSA-N
SMILES C(C/C=C(/CC/C=C(/CC[C@H]1C(O1)(C)C)\C)\C)/C=C(/CC/C=C(/CC[C@H]2C(O2)(C)C)\C)\C
Metabolite of Species Details
Lycopodium clavatum (NCBI:txid3252) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene (CHEBI:138307) has role plant metabolite (CHEBI:76924)
(3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene (CHEBI:138307) is a epoxide (CHEBI:32955)
(3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene (CHEBI:138307) is a squalene triterpenoid (CHEBI:26747)
IUPAC Name
(2S,2'S)-2,2'-[(3E,7E,11E,15E)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraene-1,18-diyl]bis(3,3-dimethyloxirane)
Synonyms Sources
(3S,22S)-2,3:22,23-diepoxysqualene UniProt
(3S,22S)-2,3:22,23-dioxidosqualene ChEBI
Manual Xref Database
CPD-20473 MetaCyc
View more database links
Registry Number Type Source
8657029 Reaxys Registry Number Reaxys
Citations
Last Modified
26 March 2024