MiMeDB: Showing metabocard for PI(18:0/18:2(9Z,12Z)) (MMDBc0000811)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 22:03:34 UTC

Update Date

2022-08-31 06:16:49 UTC

MiMeDB ID

MMDBc0000811

Metabolite Identification

Common Name

PI(18:0/18:2(9Z,12Z))

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₅H₈₃O₁₃P

Average Molecular Weight

863.1065

Monoisotopic Molecular Weight

862.557129254

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1

InChI Key

KZVRAFHIKMDULK-PDPKURFXSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

All Tissues
Blood
Brain

Tissue Locations

All Tissues
Brain

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

#<MetaboliteProteinLink:0x000055b76e0240b0>

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Firmicutes	1	Human	Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	4.29	0.39	Adult (>18 years old)	Both	Normal	HMDB	20671299	details
Human All Tissues	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Brain	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597	details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Showing metabocard for PI(18:0/18:2(9Z,12Z)) (MMDBc0000811)

MOL for #<Metabolite:0x00007f092008f8b0>

3D MOL for #<Metabolite:0x00007f092008f8b0>

3D SDF for #<Metabolite:0x00007f092008f8b0>

3D-SDF for #<Metabolite:0x00007f092008f8b0>

PDB for #<Metabolite:0x00007f092008f8b0>

3D PDB for #<Metabolite:0x00007f092008f8b0>

SMILES for #<Metabolite:0x00007f092008f8b0>

INCHI for #<Metabolite:0x00007f092008f8b0>

Structure for #<Metabolite:0x00007f092008f8b0>

3D Structure for #<Metabolite:0x00007f092008f8b0>