MiMeDB: Showing metabocard for 1,2-di-(9Z)-octadecenoyl-3-hexadecanoyl-sn-glycerol (MMDBc0054132)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-05 22:54:34 UTC

Update Date

2022-09-01 02:27:28 UTC

Metabolite ID

MMDBc0054132

Metabolite Identification

Common Name

1,2-di-(9Z)-octadecenoyl-3-hexadecanoyl-sn-glycerol

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₅₅H₁₀₂O₆

Average Mass

859.415

Monoisotopic Mass

858.767641004

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-/t52-/m0/s1

InChI Key

JFISYPWOVQNHLS-HMOYFKASSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Blood

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191891	Pancreatic triacylglycerol lipase	Enzyme	P16233	Homo_sapiens
MMDBp0191896	Hepatic triacylglycerol lipase	Enzyme	P11150	Homo_sapiens
MMDBp0191897	Lysosomal acid lipase/cholesteryl ester hydrolase	Enzyme	P38571	Homo_sapiens
MMDBp0191899	Inactive pancreatic lipase-related protein 1	Enzyme	P54315	Homo_sapiens
MMDBp0191902	Patatin-like phospholipase domain-containing protein 3	Enzyme	Q9NST1	Homo_sapiens
MMDBp0191906	Gastric triacylglycerol lipase	Enzyme	P07098	Homo_sapiens
MMDBp0191909	Endothelial lipase	Enzyme	Q9Y5X9	Homo_sapiens
MMDBp0191911	Bile salt-activated lipase	Unknown	P19835	Homo_sapiens
MMDBp0191913	Diacylglycerol O-acyltransferase 1	Enzyme	O75907	Homo_sapiens
MMDBp0191915	Pancreatic lipase-related protein 2	Enzyme	P54317	Homo_sapiens
MMDBp0191978	Carnitine O-palmitoyltransferase 1, muscle isoform	Enzyme	Q92523	Homo_sapiens
MMDBp0191979	Carnitine O-palmitoyltransferase 1, liver isoform	Enzyme	P50416	Homo_sapiens
MMDBp0191980	Lipoprotein lipase	Enzyme	P06858	Homo_sapiens
MMDBp0191981	Carnitine O-palmitoyltransferase 2, mitochondrial	Enzyme	P23786	Homo_sapiens
MMDBp0191984	Monoglyceride lipase	Enzyme	Q99685	Homo_sapiens
MMDBp0192154	Liver carboxylesterase 1	Enzyme	P23141	Homo_sapiens
MMDBp0192180	Hormone-sensitive lipase	Unknown	Q05469	Homo_sapiens
MMDBp0193163	Microsomal triglyceride transfer protein large subunit	Transporter	P55157	Homo_sapiens
MMDBp0193164	Apolipoprotein A-I	Enzyme	P02647	Homo_sapiens
MMDBp0193165	Cholesteryl ester transfer protein	Transporter	P11597	Homo_sapiens
MMDBp0193364	Apolipoprotein E	Enzyme	P02649	Homo_sapiens
MMDBp0193365	Apolipoprotein C-III precursor	Transporter	P02656	Homo_sapiens
MMDBp0193412	Apolipoprotein B-100	Enzyme	P04114	Homo_sapiens
MMDBp0193416	Apolipoprotein A-IV precursor	Transporter	P06727	Homo_sapiens
MMDBp0193430	Platelet glycoprotein 4	Transporter	P16671	Homo_sapiens
MMDBp0193680	Protein disulfide-isomerase	Enzyme	P07237	Homo_sapiens
MMDBp0193807	2-acylglycerol O-acyltransferase 2	Enzyme	Q3SYC2	Homo_sapiens
MMDBp0193848	Patatin-like phospholipase domain-containing protein 4	Enzyme	P41247	Homo_sapiens
MMDBp0193856	Long-chain fatty acid transport protein 1	Transporter	Q6PCB7	Homo_sapiens
MMDBp0193979	Diacylglycerol O-acyltransferase 2	Enzyme	Q96PD7	Homo_sapiens
MMDBp0193981	2-acylglycerol O-acyltransferase 1	Enzyme	Q96PD6	Homo_sapiens
MMDBp0194080	2-acylglycerol O-acyltransferase 3	Enzyme	Q86VF5	Homo_sapiens
MMDBp0194097	Phospholipase B1, membrane-associated	Unknown	Q6P1J6	Homo_sapiens
MMDBp0194108	Glycerol-3-phosphate acyltransferase 3	Enzyme	Q53EU6	Homo_sapiens
MMDBp0194141	Patatin-like phospholipase domain-containing protein 2	Enzyme	Q96AD5	Homo_sapiens
MMDBp0196452	Pancreatic lipase-related protein 3	Enzyme	Q17RR3	Homo_sapiens
MMDBp0196500	Perilipin-4	Unknown	Q96Q06	Homo_sapiens
MMDBp0196501	Apolipoprotein C-II	Unknown	P02655	Homo_sapiens
MMDBp0196502	Apolipoprotein A-V	Unknown	Q6Q788	Homo_sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	139.5	10.0				Adult (>18 years old)	Both	Normal	HMDB	20671299

External Links

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 1,2-di-(9Z)-octadecenoyl-3-hexadecanoyl-sn-glycerol (MMDBc0054132)

MOL for #<Metabolite:0x00007f12415d67b8>

3D MOL for #<Metabolite:0x00007f12415d67b8>

3D SDF for #<Metabolite:0x00007f12415d67b8>

3D-SDF for #<Metabolite:0x00007f12415d67b8>

PDB for #<Metabolite:0x00007f12415d67b8>

3D PDB for #<Metabolite:0x00007f12415d67b8>

SMILES for #<Metabolite:0x00007f12415d67b8>

INCHI for #<Metabolite:0x00007f12415d67b8>

Structure for #<Metabolite:0x00007f12415d67b8>

3D Structure for #<Metabolite:0x00007f12415d67b8>