MiMeDB: Showing metabocard for (S)-3-hydroxylauroyl-CoA (MMDBc0032992)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:30:16 UTC

Update Date

2022-12-15 22:51:52 UTC

MiMeDB ID

MMDBc0032992

Metabolite Identification

Common Name

(S)-3-hydroxylauroyl-CoA

Description

(S)-3-Hydroxylauroyl-CoA is a coenzyme A derivative of (S)-3-hydroxylauroate. Fatty acids must be activated with CoA before any chemical modification can be applied. Also fatty acid metabolic intermediates will also exists as CoA derivatives until the CoA is enzymatically cleaved. The fatty acid group is linked to the terminal thoil moiety of CoA.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₃H₅₈N₇O₁₈P₃S

Average Molecular Weight

965.836

Monoisotopic Molecular Weight

965.277188313

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

72059-49-5

SMILES

Not Available

InChI Identifier

InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22+,26+,27+,28-,32+/m0/s1

InChI Key

IJFLXRCJWPKGKJ-LXIXEQKWSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Extracellular
Membrane

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

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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
Fungi	Ascomycota	1	Human Feces	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

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for (S)-3-hydroxylauroyl-CoA (MMDBc0032992)

MOL for #<Metabolite:0x000055b76dd7b688>

3D MOL for #<Metabolite:0x000055b76dd7b688>

3D SDF for #<Metabolite:0x000055b76dd7b688>

3D-SDF for #<Metabolite:0x000055b76dd7b688>

PDB for #<Metabolite:0x000055b76dd7b688>

3D PDB for #<Metabolite:0x000055b76dd7b688>

SMILES for #<Metabolite:0x000055b76dd7b688>

INCHI for #<Metabolite:0x000055b76dd7b688>

Structure for #<Metabolite:0x000055b76dd7b688>

3D Structure for #<Metabolite:0x000055b76dd7b688>