CHEBI:89970 - 1-octadecanoyl-2,3-dioleoyl-sn-glycerol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octadecanoyl-2,3-dioleoyl-sn-glycerol
ChEBI ID CHEBI:89970
ChEBI ASCII Name 1-octadecanoyl-2,3-dioleoyl-sn-glycerol
Definition A triacyl-sn-glycerol in which the 1-acyl group is octadecanoyl while the 2- and 3-acyl groups are oleoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1984297
Download Molfile XML SDF
Formula C57H106O6
Net Charge 0
Average Mass 887.450
Monoisotopic Mass 886.79894
InChI InChI=1S/C57H106O6/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/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25-,30-27-/t54-/m0/s1
InChIKey RYNHWWNZNIGDAQ-BMTCQUSZSA-N
SMILES O([C@H](COC(CCCCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecanoyl-2,3-dioleoyl-sn-glycerol (CHEBI:89970) has role human blood serum metabolite (CHEBI:85234)
1-octadecanoyl-2,3-dioleoyl-sn-glycerol (CHEBI:89970) is a triacyl-sn-glycerol (CHEBI:64615)
1-octadecanoyl-2,3-dioleoyl-sn-glycerol (CHEBI:89970) is a triacylglycerol 54:2 (CHEBI:85743)
IUPAC Name
(2R)-3-(octadecanoyloxy)propane-1,2-diyl (9Z,9'Z)di-octadec-9-enoate
Synonyms Sources
1-octadecanoyl-2,3-bis[(9Z)-octadecenoyl]-sn-glycerol ChEBI
1-octadecanoyl-2,3-di-(9Z-octadecenoyl)-sn-glycerol LIPID MAPS
1-stearoyl-2,3-dioleoyl-sn-glycerol ChEBI
1-Stearoyl-2-oleoyl-3-oleoyl-glycerol HMDB
TAG(18:0/18:1/18:1) HMDB
TAG(18:0/18:1n9/18:1n9) HMDB
TAG(18:0/18:1w9/18:1w9) HMDB
TAG(54:2) HMDB
TG(18:0/18:1(9Z)/18:1(9Z)) ChEBI
TG(18:0/18:1(9Z)/18:1(9Z))[iso3] LIPID MAPS
TG(18:0/18:1/18:1) HMDB
TG(18:0/18:1/18:1)[iso3] LIPID MAPS
TG(18:0/18:1n9/18:1n9) HMDB
TG(18:0/18:1w9/18:1w9) HMDB
TG(54:2) HMDB
Triacylglycerol(18:0/18:1/18:1) HMDB
Triacylglycerol(18:0/18:1n9/18:1n9) HMDB
Triacylglycerol(18:0/18:1w9/18:1w9) HMDB
Triacylglycerol(54:2) HMDB
Manual Xrefs Databases
HMDB0005403 HMDB
LMGL03010217 LIPID MAPS
View more database links
Registry Number Type Source
7163962 Reaxys Registry Number Reaxys
Citation Type Source
20671299 PubMed citation Europe PMC
Last Modified
07 April 2016