CHEBI:145207 - 13'-carboxy-alpha-tocopherol

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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 13'-carboxy-alpha-tocopherol
ChEBI ID CHEBI:145207
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C29H48O4
Net Charge 0
Average Mass 460.699
Monoisotopic Mass 460.35526
InChI InChI=1S/C29H48O4/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/h19-21,30H,8-18H2,1-7H3,(H,31,32)/t19-,20+,21?,29+/m1/s1
InChIKey NJIUWSABAIXPGI-AXTKCOKSSA-N
SMILES C[C@H](CCC[C@H](C)CCC[C@@]1(C)CCC=2C(C)=C(O)C(C)=C(C)C2O1)CCCC(C)C(O)=O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via tocol )
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ChEBI Ontology
Outgoing 13'-carboxy-alpha-tocopherol (CHEBI:145207) is a tocopherol (CHEBI:27013)
Manual Xref Database
HMDB0012555 HMDB accession
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