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CHEBI:140471 - triricinolein

ChEBI IDCHEBI:140471
ChEBI Nametriricinolein
Stars
DefinitionA 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.
Last Modified4 June 2018
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC57H104O9
Net Charge0
Average Mass933.450
Monoisotopic Mass932.76803
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC)OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
InChIInChI=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
InChIKeyZEMPKEQAKRGZGQ-VBJOUPRGSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
Synonym  Source
glyceryl triricinoleateChemIDplus
UniProt Name  Source
1,2,3-tri-(12R-hydroxy-9Z-octadecenoyl)-glycerolUniProt
Manual XrefsDatabases
RicinoleinWikipedia
HMDB0038061HMDB
FDB017272FooDB
Registry NumbersSources
Reaxys:8608362Reaxys
CAS:2540-54-7ChemIDplus
Citations