MiMeDB: Showing metabocard for Palmityl-CoA (MMDBc0029621)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:34:54 UTC

Update Date

2022-08-31 14:05:25 UTC

MiMeDB ID

MMDBc0029621

Metabolite Identification

Common Name

Palmityl-CoA

Description

Palmityl-CoA is fatty acid coenzyme derivative which plays a key role in fatty acid oxidation and biosynthesis.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₇H₆₆N₇O₁₇P₃S

Average Molecular Weight

1005.943

Monoisotopic Molecular Weight

1005.344873947

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

1763-10-6

SMILES

Not Available

InChI Identifier

InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32?,36-/m1/s1

InChI Key

MNBKLUUYKPBKDU-TZIIWEFPSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

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
	Proteobacteria	170	Human Feces; Human ; Pig	Unknown; Metabolic reconstruction
	Bacteroidetes	116	Human Feces; Human	Metabolic reconstruction
	Firmicutes	276	Human Feces; Human ; Pig ; Cattle	Metabolic reconstruction
	Actinobacteria	110	Human Feces; Human	Metabolic reconstruction
	Verrucomicrobia	1	Human	Metabolic reconstruction
	Synergistetes	3	Human Feces	Metabolic reconstruction
	Spirochaetes	1	Human Feces	Metabolic reconstruction
	Fusobacteria	19	Human Feces; Human	Metabolic reconstruction
	Euryarchaeota	5	Human Feces; Cattle ; Human	Metabolic reconstruction
	Planctomycetes	1	Human Feces	Metabolic reconstruction
	Crenarchaeota	1	Human Feces	Metabolic reconstruction
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
Human Feces	Detected but not Quantified									HMDB		details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Stanczak H, Stanczak JJ, Singh I: Chromosomal localization of the human gene for palmitoyl-CoA ligase (FACL1). Cytogenet Cell Genet. 1992;59(1):17-9. doi: 10.1159/000133189. [PubMed:1531127 ]
Bout A, Franse MM, Collins J, Blonden L, Tager JM, Benne R: Characterization of the gene encoding human peroxisomal 3-oxoacyl-CoA thiolase (ACAA). No large DNA rearrangement in a thiolase-deficient patient. Biochim Biophys Acta. 1991 Aug 27;1090(1):43-51. doi: 10.1016/0167-4781(91)90035-k. [PubMed:1679347 ]
Finocchiaro G, Taroni F, Rocchi M, Martin AL, Colombo I, Tarelli GT, DiDonato S: cDNA cloning, sequence analysis, and chromosomal localization of the gene for human carnitine palmitoyltransferase. Proc Natl Acad Sci U S A. 1991 Jan 15;88(2):661-5. doi: 10.1073/pnas.88.2.661. [PubMed:1988962 ]
Steinberg SJ, Wang SJ, McGuinness MC, Watkins PA: Human liver-specific very-long-chain acyl-coenzyme A synthetase: cDNA cloning and characterization of a second enzymatically active protein. Mol Genet Metab. 1999 Sep;68(1):32-42. doi: 10.1006/mgme.1999.2883. [PubMed:10479480 ]
Miinalainen IJ, Chen ZJ, Torkko JM, Pirila PL, Sormunen RT, Bergmann U, Qin YM, Hiltunen JK: Characterization of 2-enoyl thioester reductase from mammals. An ortholog of YBR026p/MRF1'p of the yeast mitochondrial fatty acid synthesis type II. J Biol Chem. 2003 May 30;278(22):20154-61. doi: 10.1074/jbc.M302851200. Epub 2003 Mar 24. [PubMed:12654921 ]
HOAGLAND MB, NOVELLI GD: Biosynthesis of coenzyme A from phospho-pantetheine and of pantetheine from pantothenate. J Biol Chem. 1954 Apr;207(2):767-73. [PubMed:13163064 ]
Wang Y, Kurdi-Haidar B, Oram JF: LXR-mediated activation of macrophage stearoyl-CoA desaturase generates unsaturated fatty acids that destabilize ABCA1. J Lipid Res. 2004 May;45(5):972-80. doi: 10.1194/jlr.M400011-JLR200. Epub 2004 Feb 16. [PubMed:14967823 ]
Pauli-Magnus C, Stieger B, Meier Y, Kullak-Ublick GA, Meier PJ: Enterohepatic transport of bile salts and genetics of cholestasis. J Hepatol. 2005 Aug;43(2):342-57. doi: 10.1016/j.jhep.2005.03.017. [PubMed:15975683 ]
Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]

Showing metabocard for Palmityl-CoA (MMDBc0029621)

MOL for #<Metabolite:0x000055b76e088628>

3D MOL for #<Metabolite:0x000055b76e088628>

3D SDF for #<Metabolite:0x000055b76e088628>

3D-SDF for #<Metabolite:0x000055b76e088628>

PDB for #<Metabolite:0x000055b76e088628>

3D PDB for #<Metabolite:0x000055b76e088628>

SMILES for #<Metabolite:0x000055b76e088628>

INCHI for #<Metabolite:0x000055b76e088628>

Structure for #<Metabolite:0x000055b76e088628>

3D Structure for #<Metabolite:0x000055b76e088628>