CHEBI:140471 - triricinolein

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ChEBI Name triricinolein
ChEBI ID CHEBI:140471
Definition A triglyceride formed by acylation of the three hydroxy groups of glycerol with ricinoleic acid, ((9Z,12R)-12-hydroxydec-9-enoic acid). It is the main constituent of castor oil.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
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Formula C57H104O9
Net Charge 0
Average Mass 933.432
Monoisotopic Mass 932.76803
InChI InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-/t51-,52-,53-/m1/s1
InChIKey ZEMPKEQAKRGZGQ-VBJOUPRGSA-N
SMILES C(C(COC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O
ChEBI Ontology
Outgoing triricinolein (CHEBI:140471) has functional parent ricinoleic acid (CHEBI:28592)
triricinolein (CHEBI:140471) is a homoallylic alcohol (CHEBI:134362)
triricinolein (CHEBI:140471) is a secondary alcohol (CHEBI:35681)
triricinolein (CHEBI:140471) is a triglyceride (CHEBI:17855)
Incoming castor oil (CHEBI:140618) has part triricinolein (CHEBI:140471)
IUPAC Name
propane-1,2,3-triyl (9Z,12R,9'Z,12'R,9''Z,12''R)tris(12-hydroxyoctadec-9-enoate)
Synonyms Sources
1,2,3-tri-(12R-hydroxy-9Z-octadecenoyl)-glycerol UniProt
glyceryl triricinoleate ChemIDplus
Manual Xrefs Databases
FDB017272 FooDB
HMDB0038061 HMDB
Ricinolein Wikipedia
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Registry Numbers Types Sources
2540-54-7 CAS Registry Number ChemIDplus
8608362 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11800053 PubMed citation Europe PMC
14733366 PubMed citation Europe PMC
18643899 PubMed citation SUBMITTER
5867691 PubMed citation Europe PMC
IND44788222 Agricola citation Europe PMC
IND44788223 Agricola citation Europe PMC
Last Modified
04 June 2018