MiMeDB: Showing metabocard for Octadecanoyl-phosphate (n-C18:1) (MMDBc0031628)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:42:00 UTC

Update Date

2022-08-31 18:22:38 UTC

MiMeDB ID

MMDBc0031628

Metabolite Identification

Common Name

Octadecanoyl-phosphate (n-C18:1)

Description

Caprylic acid belongs to the class of Straight Chain Fatty Acids. These are fatty acids with a straight aliphatic chain. (inferred from compound structure)Caprylic acid is invovled in Biosynthesis of alkaloids derived from terpenoid and polyketide, Biosynthesis of plant secondary metabolites, and Fatty acid biosynthesis. (KEGG)Caprylic acid is the common name for the eight-carbon saturated fatty acid known by the systematic name octanoic acid. It is found naturally in the milk of various mammals, and it is a minor constituent of coconut oil and palm kernel oil. It is an oily liquid that is minimally soluble in water with a slightly unpleasant rancid-like smell and taste. Two other acids are named after goats: caproic (C6) and capric (C10). Along with caprylic acid these total 15% in goat milk fat. (WikiPedia)

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₃₃O₅P

Average Molecular Weight

360.4254

Monoisotopic Molecular Weight

360.206560678

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C18H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22/h9-10H,2-8,11-17H2,1H3,(H2,20,21,22)/p-2/b10-9-

InChI Key

VHHMNNRGNQWMKU-KTKRTIGZSA-L

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

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
	Proteobacteria	1	Human	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]

Showing metabocard for Octadecanoyl-phosphate (n-C18:1) (MMDBc0031628)

MOL for #<Metabolite:0x00007f0920118548>

3D MOL for #<Metabolite:0x00007f0920118548>

3D SDF for #<Metabolite:0x00007f0920118548>

3D-SDF for #<Metabolite:0x00007f0920118548>

PDB for #<Metabolite:0x00007f0920118548>

3D PDB for #<Metabolite:0x00007f0920118548>

SMILES for #<Metabolite:0x00007f0920118548>

INCHI for #<Metabolite:0x00007f0920118548>

Structure for #<Metabolite:0x00007f0920118548>

3D Structure for #<Metabolite:0x00007f0920118548>