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ChEBI
> Main
CHEBI:139534 - 13'-carboxy-γ-tocotrienol
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ChEBI Ontology
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ChEBI Name
13'-carboxy-γ-tocotrienol
ChEBI ID
CHEBI:139534
ChEBI ASCII Name
13'-carboxy-gamma-tocotrienol
Stars
This entity has been manually annotated by a third party.
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Formula
C28H40O4
Net Charge
0
Average Mass
440.616
Monoisotopic Mass
440.29266
InChI
InChI=1S/C28H40O4/c1-
19(12-
8-
14-
21(3)
27(30)
31)
10-
7-
11-
20(2)
13-
9-
16-
28(6)
17-
15-
24-
18-
25(29)
22(4)
23(5)
26(24)
32-
28/h10,13-
14,18,29H,7-
9,11-
12,15-
17H2,1-
6H3,(H,30,31)
/b19-
10+,20-
13+,21-
14+/t28-
/m1/s1
InChIKey
UJMZKOBSLDXUHY-YQHRJHOASA-N
SMILES
C/C(/CC/C=C(\C)/C(O)=O)=C\CC/C(/C)=C/CC[C@]1(C)CCC=2C=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-γ-tocotrienol (
CHEBI:139534
)
is a
tocotrienol (
CHEBI:33235
)
IUPAC Name
(2E,6E,10E)-
13-
[(2R)-
6-
hydroxy-
2,7,8-
trimethyl-
3,4-
dihydro-
2H-
1-
benzopyran-
2-
yl]-
2,6,10-
trimethyltrideca-
2,6,10-
trienoic acid
Manual Xref
Database
HMDB0012558
HMDB
View more database links
Last Modified
29 January 2018