CHEBI:175317 - 11'-Carboxy-alpha-tocotrienol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 11'-Carboxy-alpha-tocotrienol
ChEBI ID CHEBI:175317
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H38O4
Net Charge 0
Average Mass 414.586
Monoisotopic Mass 414.27701
InChI InChI=1S/C26H38O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h10-11,29H,7-9,12-16H2,1-6H3,(H,27,28)/b17-11+,18-10+/t26-/m1/s1
InChIKey LAVCYAUSHCEKED-KYVGBUAPSA-N
SMILES O1[C@@](CCC2=C1C(=C(C(O)=C2C)C)C)(CC/C=C(/CC/C=C(/CCC(O)=O)\C)\C)C
ChEBI Ontology
Outgoing 11'-Carboxy-alpha-tocotrienol (CHEBI:175317) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4E,8E)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundeca-4,8-dienoic acid
Manual Xrefs Databases
30776618 ChemSpider
HMDB0012516 HMDB
View more database links