13'-Hydroxy-gamma-tocotrienol (CHEBI:231108)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231108 - 13'-Hydroxy-gamma-tocotrienol

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:231108
ChEBI Name	13'-Hydroxy-gamma-tocotrienol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H42O3
Net Charge	0
Average Mass	426.641
Monoisotopic Mass	426.31340
SMILES	C/C(=C\CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1)CO
InChI	InChI=1S/C28H42O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h10,13-14,18,29-30H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t28-/m0/s1
InChIKey	BUWYMGRHXZROTQ-XYSSNJNPSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS9087)
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

Roles Classification

antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

ChEBI Ontology

Outgoing Relation(s)
	13'-Hydroxy-gamma-tocotrienol (CHEBI:231108) is a tocotrienol (CHEBI:33235)

IUPAC Name
(2S)-2-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,7,8-trimethyl-3,4-dihydrochromen-6-ol

Manual Xrefs	Databases
30776636	ChemSpider
HMDB0012562	HMDB