CHEBI:185407 - 7-oxatyphasterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-oxatyphasterol
ChEBI ID CHEBI:185407
Definition A brassinosteroid that is brassinolide in which the hydroxy group at position 2 has been replaced by a hydrogen atom.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter MetaboLights
MetaboLights
Secondary ChEBI IDs CHEBI:81307, CHEBI:175661
Supplier Information
Download Molfile XML SDF
Formula C28H48O5
Net Charge 0
Average Mass 464.687
Monoisotopic Mass 464.35017
InChI InChI=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
InChIKey LLFIMDUWAVPJEJ-AVWWTISCSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Apium graveolens (NCBI:txid4045) See: DOI
Sus scrofa domesticus (NCBI:txid9825) Identified in the colon. See: PubMed
Roles Classification
Biological Role(s): plant growth stimulator

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.
mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(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-one IUPAC
(22R,23R,24S)-3α,22,23-trihydroxy-7-oxa-5α-ergostane-6-one KEGG COMPOUND
2-deoxybrassinolide ChEBI
3α,22R,23R-trihydroxy-6,7-seco-5α-campestano-6,7-lactone LIPID MAPS
7-oxatyphasterol UniProt
7-oxotyphasterol LIPID MAPS
Manual Xrefs Databases
103882371 ChemSpider
C17735 KEGG COMPOUND
CPD-12497 MetaCyc
HMDB0041135 HMDB
LMST01140003 LIPID MAPS
View more database links
Registry Number Type Source
144071-55-6 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
18685225 PubMed citation Europe PMC
33833350 PubMed citation Europe PMC
Last Modified
07 January 2022