Triolein

Details

• Internal ID: 9c97813e-8cc5-4923-95d6-007b182357ac
• Taxonomy: Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols
• IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate
• InChI: InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
• InChI Key: PHYFQTYBJUILEZ-IUPFWZBJSA-N
• Popularity: 6,448 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₇H₁₀₄O₆
• Molecular Weight: 885.40 g/mol
• Exact Mass: 884.78329103 g/mol
• Topological Polar Surface Area (TPSA): 78.90 Ų
• XlogP: 22.40

Synonyms

• GLYCERYL TRIOLEATE
• Glycerol trioleate
• 122-32-7
• Glycerol triolein
• Oleic triglyceride
• Oleic acid triglyceride
• Trioleoylglycerol
• Trioleoylglyceride
• Glycerin trioleate
• Oleyl triglyceride
• Raoline
• Aldo TO
• Glyceryl-1,2,3-trioleate
• Olein, tri-
• Emery 2423
• Emery oleic acid ester 2230
• Glycerol, tri(cis-9-octadecenoate)
• CHEBI:53753
• 9-Octadecenoic acid (Z)-, 1,2,3-propanetriyl ester
• TG(18:1(9Z)/18:1(9Z)/18:1(9Z))
• 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate
• O05EC62663
• DTXSID3026988
• 2,3-bis(((Z)-octadec-9-enoyl)oxy)propyl (Z)-octadec-9-enoate
• Trioleyl Glycerol
• Trioleate Glycerin
• Trioleate-Glycerin
• Glycerol, Trioleyl
• Trioleate, Glycerol
• RefChem:37211
• GlyTouCan:G23187IJ
• DTXCID006988
• G23187IJ
• 204-534-7
• Olein
• 1,2,3-Propanetriyl trioleate
• HSDB 5594
• Triglyceride OOO
• Edenor NHTi-G
• MFCD00137563
• Kaolube 190
• sn-Glyceryl trioleate
• 1,2,3-Tri(cis-9-octadecenoyl)glycerol
• 1,2,3-tri-(9Z-octadecenoyl)-glycerol
• Actor LO 1
• Kemester 1000
• Emerest 2423
• 9-Octadecenoic acid (9Z)-, 1,2,3-propanetriyl ester
• Estol 1433
• Radia 7363
• 1,2,3-tri-oleoyl-glycerol
• 1,2,3-Propanetriol tri(9-octandecenoate)
• 9-Octadecenoic acid, 1,2,3-propanetriyl ester
• (9Z)9-Octadecenoic acid 1,2,3-propanetriyl ester
• propane-1,2,3-triyl (9Z,9'Z,9''Z)tris-octadec-9-enoate
• C57H104O6
• Glycerine Trioleate (Technical Grade)
• TG 54:3
• EINECS 204-534-7
• Trioctadecenoin
• CCRIS 8687
• tri-Olein
• 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate
• UNII-O05EC62663
• 9-Octadecenoic-9,10-t2 acid, 1,2,3-propanetriyl ester, (Z,Z,Z)- (9CI)
• Glycerol trioleate;
• Triolein (Standard)
• triolein C18:1
• Triolein, tech grade
• GLYCERYLTRIOLEATE
• TRIOLEIN [MI]
• tri(cis-9-octadecenoate)
• Epitope ID:117714
• TRIOLEIN [USP-RS]
• TRIOLEIN [WHO-DD]
• 1,2,3-propanetriyl ester
• EC 204-534-7
• Glyceryl trioleate, ~65%
• SCHEMBL23730
• Glyceryl trioleate, >=99%
• orb1303418
• GLYCERYL TRIOLEATE [II]
• CHEMBL4297656
• HY-N1981R
• GLYCERYL TRIOLEATE [HSDB]
• MSK2024
• GLYCERYL TRIOLEATE [VANDF]
• HMS5086D04
• GLYCERYL TRIOLEATE [MART.]
• GLYCERYL TRIOLEATE [WHO-DD]
• HY-N1981
• Triolein, [9,10-3H(N)]-
• LMGL03010250
• s3590
• AKOS024437536
• Triolein (mixture of Triacylglycerins)
• DB13038
• FT41656
• FT75004
• Glyceryl trioleate, >=97.0% (TLC)
• SY011375
• 1,2,3-tri-(9Z-octadecenoyl)-sn-glycerol
• CS-0018302
• G0089
• NS00002311
• Glyceryl trioleate, technical, >=60% (GC)
• (Z)-1,2,3-propanetriyl ester 9-Octadecenoate
• (9Z)-1,2,3-propanetriyl ester 9-Octadecenoate
• Glyceryl trioleate, analytical reference material
• Q413929
• (9Z)-1,2,3-propanetriyl ester 9-Octadecenoic acid
• (Z)-1,2,3-propanetriyl ester 9-Octadecenoic acid
• (Z)-9-Octadecenoic acid, 1,2,3-propanetriyl ester
• propane-1,2,3-triyl tris[(9Z)-octadec-9-enoate]
• AC7B54B8-0E34-455F-A1E0-442F3ECD69EA
• Triolein, European Pharmacopoeia (EP) Reference Standard
• TG(18:1(9Z)/18:1(9Z)/18:1(9Z))[iso]
• (9Z)-1,1',1''-(1,2,3-propanetriyl) ester 9-Octadecenoate
• Triolein - Technical grade (mixture with monoester and diester)
• (9Z)-1,1',1''-(1,2,3-propanetriyl) ester 9-Octadecenoic acid
• 9-octadecenoic acid, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	98.66%	99.17%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	94.65%	85.94%
CHEMBL2581	P07339	Cathepsin D	94.15%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.96%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	92.56%	97.29%
CHEMBL299	P17252	Protein kinase C alpha	92.23%	98.03%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.87%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	91.67%	89.63%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	91.34%	95.17%
CHEMBL5255	O00206	Toll-like receptor 4	89.29%	92.50%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	88.45%	96.95%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	86.48%	92.86%
CHEMBL1781	P11387	DNA topoisomerase I	85.71%	97.00%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	83.40%	100.00%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	83.30%	97.21%
CHEMBL340	P08684	Cytochrome P450 3A4	82.98%	91.19%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	82.52%	91.81%
CHEMBL4227	P25090	Lipoxin A4 receptor	82.02%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.48%	93.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.28%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.19%	91.11%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.99%	94.33%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	80.08%	83.00%

Plants that contains it

• Aloe vera
• Litchi chinensis
• Myristica fragrans
• Panax pseudoginseng
• Pelargonium graveolens
• Prunus persica
• Sciadopitys verticillata

Cross-Links

• PubChem: 5497163
• NPASS: NPC136434
• LOTUS: LTS0254684
• wikiData: Q413929