CHEBI:109455 - 1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol

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ChEBI Name 1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol
ChEBI ID CHEBI:109455
ChEBI ASCII Name 1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol
Definition A triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, (9Z)-hexadecenoyl and (9Z)-octadecenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:89766
Supplier Information
Download Molfile XML SDF
Formula C53H98O6
Net Charge 0
Average Mass 831.344
Monoisotopic Mass 830.73634
InChI InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h21,24-26,50H,4-20,22-23,27-49H2,1-3H3/b24-21-,26-25-/t50-/m1/s1
InChIKey TWJCMQZMAPGUSG-JMFJKIOKSA-N
SMILES O([C@H](COC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
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-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:109455) has role human blood serum metabolite (CHEBI:85234)
1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:109455) is a triacyl-sn-glycerol (CHEBI:64615)
1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:109455) is a triacylglycerol 50:2 (CHEBI:84662)
IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-hexadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate
Synonyms Sources
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate HMDB
1-hexadecanoyl-2-(9Z-hexadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol LIPID MAPS
1-Palmitoyl-2-palmitoleoyl-3-oleoyl-glycerol HMDB
1-palmitoyl-2-palmitoleoyl-3-oleoyl-sn-glycerol ChEBI
TAG(16:0/16:1/18:1) HMDB
TAG(16:0/16:1n7/18:1n9) HMDB
TAG(16:0/16:1w7/18:1w9) HMDB
TAG(50:2) HMDB
TG(16:0/16:1(9Z)/18:1(9Z)) ChEBI
TG(16:0/16:1(9Z)/18:1(9Z))[iso6] LIPID MAPS
TG(16:0/16:1/18:1) HMDB
TG(16:0/16:1/18:1) ChEBI
TG(16:0/16:1/18:1)[iso6] LIPID MAPS
TG(16:0/16:1n7/18:1n9) HMDB
TG(16:0/16:1w7/18:1w9) HMDB
TG(50:2) HMDB
Triacylglycerol(16:0/16:1/18:1) HMDB
Triacylglycerol(16:0/16:1n7/18:1n9) HMDB
Triacylglycerol(16:0/16:1w7/18:1w9) HMDB
Triacylglycerol(50:2) HMDB
Manual Xrefs Databases
HMDB0005377 HMDB
LMGL03010043 LIPID MAPS
View more database links
Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC
Last Modified
07 April 2016