CHEBI:139535 - 13'-carboxy-α-tocotrienol

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ChEBI Name 13'-carboxy-α-tocotrienol
ChEBI ID CHEBI:139535
ChEBI ASCII Name 13'-carboxy-alpha-tocotrienol
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H42O4
Net Charge 0
Average Mass 454.642
Monoisotopic Mass 454.30831
InChI InChI=1S/C29H42O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h11,14-15,30H,8-10,12-13,16-18H2,1-7H3,(H,31,32)/b19-11-,20-14-,21-15+/t29-/m1/s1
InChIKey CBMCFKYSTHHHCC-QZDMETRGSA-N
SMILES C/C(/CC/C=C(\C)/C(O)=O)=C/CC/C(/C)=C\CC[C@]1(C)CCC=2C(C)=C(O)C(C)=C(C)C2O1
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via tocol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13'-carboxy-α-tocotrienol (CHEBI:139535) is a tocotrienol (CHEBI:33235)
IUPAC Name
(2E,6Z,10Z)-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
Manual Xref Database
HMDB0012556 HMDB
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Last Modified
29 January 2018