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CHEBI:32240 - Tocoretinate

ChEBI IDCHEBI:32240
ChEBI NameTocoretinate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC49H76O3
Net Charge0
Average Mass713.144
Monoisotopic Mass712.57945
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)C(C)(C)CCC1
InChIInChI=1S/C49H76O3/c1-34(2)19-14-20-35(3)21-15-22-36(4)25-17-31-49(13)32-29-43-42(10)46(40(8)41(9)47(43)52-49)51-45(50)33-38(6)24-16-23-37(5)27-28-44-39(7)26-18-30-48(44,11)12/h16,23-24,27-28,33-36H,14-15,17-22,25-26,29-32H2,1-13H3/b24-16+,28-27+,37-23+,38-33+/t35-,36-,49-/m1/s1
InChIKeyRIQIJXOWVAHQES-UNAKLNRMSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
ChEBI Ontology
Outgoing Relation(s)
Tocoretinate (CHEBI:32240) is a tocol (CHEBI:39437)
Synonyms  Source
TocoretinateKEGG COMPOUND
Tretinoin tocoferilKEGG COMPOUND
olcenonDrugCentral
tocoretinateDrugCentral
Manual XrefsDatabases
C12967KEGG COMPOUND
D01516KEGG DRUG
2721DrugCentral
Registry NumbersSources
CAS:40516-48-1KEGG COMPOUND