EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185407 - 7-oxatyphasterol

ChEBI IDCHEBI:185407
ChEBI Name7-oxatyphasterol
Stars
DefinitionA brassinosteroid that is brassinolide in which the hydroxy group at position 2 has been replaced by a hydrogen atom.
Secondary ChEBI IDsCHEBI:81307, CHEBI:175661
Last Modified7 January 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O5
Net Charge0
Average Mass464.687
Monoisotopic Mass464.35017
SMILES[H][C@@]12COC(=O)[C@@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C
InChIInChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1
InChIKeyLLFIMDUWAVPJEJ-AVWWTISCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Sus scrofa domesticus (ncbitaxon:9825) - PubMed (33833350) Identified in the colon.
Apium graveolens (ncbitaxon:4045) - DOI (10.1016/0031-9422(95)00363-C)
Roles Classification
Biological Roles:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
plant hormone  A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
7-oxatyphasterol (CHEBI:185407) has role mammalian metabolite (CHEBI:75768)
7-oxatyphasterol (CHEBI:185407) has role plant growth stimulator (CHEBI:26157)
7-oxatyphasterol (CHEBI:185407) has role plant hormone (CHEBI:37848)
7-oxatyphasterol (CHEBI:185407) has role plant metabolite (CHEBI:76924)
7-oxatyphasterol (CHEBI:185407) is a 22-hydroxy steroid (CHEBI:36863)
7-oxatyphasterol (CHEBI:185407) is a 23-hydroxy steroid (CHEBI:36866)
7-oxatyphasterol (CHEBI:185407) is a 3α-hydroxy steroid (CHEBI:36835)
7-oxatyphasterol (CHEBI:185407) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(3aS,5R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
Synonyms  Source
(22R,23R,24S)-3α,22,23-trihydroxy-7-oxa-5α-ergostane-6-oneKEGG COMPOUND
(1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-oneIUPAC
2-deoxybrassinolideChEBI
7-oxotyphasterolLIPID MAPS
3α,22R,23R-trihydroxy-6,7-seco-5α-campestano-6,7-lactoneLIPID MAPS
UniProt Name  Source
7-oxatyphasterolUniProt
Manual XrefsDatabases
C17735KEGG COMPOUND
HMDB0041135HMDB
103882371ChemSpider
LMST01140003LIPID MAPS
CPD-12497MetaCyc
Registry NumbersSources
CAS:144071-55-6ChEBI
Citations