We are currently updating the database - data may be missing for the next 10 minutes. We apologize for any inconvenience.

Bovine Rumen Metabolome Database



Showing metabocard for Palmitic acid (RMDB00220)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:57:46
Accession Number RMDB00220
Common Name Palmitic acid
Description Palmitic acid, or hexadecanoic acid is one of the most common saturated fatty acids found in animals and plants, a saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.(wikipedia) Biological Source: Occurs in the form of esters (glycerides) in oils and fats of vegetable and animal origin. Usually obtained from palm oil. Widely distributed in plants Use/Importance: Used in determination of water hardness Biological Use/Importance: Active ingredient of *Levovist*TM, used in echo enhancement in sonographic Doppler B-mode imaging. Ultrasound contrast medium (Dictionary of Organic Compounds)
Synonyms
  1. Hexaectylic acid
  2. Lunac P 95KC
  3. Prifac 2960
  4. Palmitate
  5. Hydrofol
  6. PLM
  7. Lunac P 95
  8. Hexadecylic acid
  9. Hystrene 8016
  10. Industrene 4516
  11. Hexadecoic acid
  12. Lunac P 98
  13. Emersol 140
  14. Hexadecanoic acid
  15. PAM
  16. Kortacid 1698
  17. Hydrofol acid 1690
  18. Pristerene 4934
  19. Prifrac 2960
  20. Univol U332
  21. 1-hexyldecanoic acid
  22. palmitic acid
  23. Palmitinsaeure
  24. C16 fatty acid
  25. Loxiol EP 278
  26. Emersol 143
  27. Edenor C16
  28. Hystrene 9016
  29. 1-Pentadecanecarboxylic acid
  30. Cetylic acid
  31. Glycon P-45
  32. Hexadecanoate
  33. Palmitinate
  34. Palmitinic acid
  35. Pentadecanecarboxylate
  36. Pentadecanecarboxylic acid
  37. n-Hexadecanoate
  38. n-Hexadecanoic acid
  39. n-Hexadecoate
  40. n-Hexadecoic acid
  41. Hexadecanoic acid palmitic acid
  42. Hexadecoate
  43. 1-hexyldecanoate
Chemical IUPAC Name Hexadecanoic acid
Chemical Formula C16H32O2
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Organic acids
Class
  • Fatty Acids
Sub Class
  • Long chain fatty acids
Family
  • Mammalian_Metabolite
Species
  • carboxylic acid
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 256.424
Monoisotopic Molecular Weight 256.240234
Isomeric SMILES CCCCCCCCCCCCCCCC(O)=O
Canonical SMILES CCCCCCCCCCCCCCCC(O)=O
KEGG Compound ID C00249 Link Image
BioCyc ID CPD-8475 Link Image
BiGG ID 34386 Link Image
Wikipedia Link Palmitic acid Link Image
METLIN ID 187 Link Image
PubChem Compound 985 Link Image
PubChem Substance 841623 Link Image
ChEBI ID 15756 Link Image
CAS Registry Number 57-10-3
InChI Identifier InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
Synthesis Reference Xu, Yan; Ling, Li. A method for preparing conjugated linoleic acid and palmitic acid. Faming Zhuanli Shenqing Gongkai Shuomingshu (2005), 5 pp.
Melting Point (Experimental) 61.8 oC
Experimental Water Solubility 4e-05 mg/mL [ROBB.ID (1966)] Source: PhysProp
Predicted Water Solubility 4.07e-04 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -1
State Solid
Experimental LogP/Hydrophobicity 7.17 [SANGSTER (1993)] Source: PhysProp
Predicted LogP/Hydrophobicity 7.23 [Predicted by ALOGPS]; 6.1 [Predicted by PubChem via XLOGP] Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show Link Image
SDF File Show Link Image
PDB File Show Link Image
2D Structure
3D Structure
Experimental PDB ID 1B0O Link Image
Experimental PDB File Show
Experimental PDB Structure
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Show Image
Show Peaklist
Predicted 13C NMR Spectrum Show Image
Show Peaklist
Mass Spectrum
Low Energy
Download File
Show Experimental Conditions Link Image
Medium Energy
Download File
Show Experimental Conditions Link Image
High Energy
Download File
Show Experimental Conditions Link Image
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Membrane (Predicted from LogP)
  • Cytoplasm
  • endoplasmic reticulum
  • Extracellular
  • peroxisome
Biofluid Location
  • Cow_Milk
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 243.1 +/- 35.1 uM
Age N/A
Sex N/A
Condition Normal
Breed Not Available
Experimental Condition Not Available
Comments Not Available
References
  • The rumen metabolome (in preparation)
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References
  1. Wikipedia Link Image
Metabolic Enzymes
  1. Acyl-protein thioesterase 1
  2. Palmitoyl-protein thioesterase 1
Enzyme 1 [top]
Enzyme 1 ID 1137
Enzyme 1 Name Acyl-protein thioesterase 1
Enzyme 1 Synonyms
  1. Lysophospholipase 1
  2. Lysophospholipase I
Enzyme 1 Gene Name LYPLA1
Enzyme 1 Protein Sequence >Acyl-protein thioesterase 1
MCGNNMSAPLPAIVPAARKATAAVIFLHGLGDTGHGWAEAFAGIRSAHIKYICPHAPVMP
VTLNMNMAMPSWFDIIGLSPDSLEDETGIKQAAENVKALIDQEVKNGIPSNRIILGGFSQ
GGALSLYTALTTQQKLAGVTALSCWLPLRASFPQGPIGGVNRDISILQCHGDLDPLVPLM
FGSLTAEKLKTLVNPANVTFRTYAGMMHSSCQQEMMDIKQFIDKLLPPVD
Enzyme 1 Number of Residues 230
Enzyme 1 Molecular Weight 24595.4
Enzyme 1 Theoretical pI 6.78
Enzyme 1 GO Classification
Function
Process
Component
Enzyme 1 General Function Involved in hydrolase activity
Enzyme 1 Specific Function Hydrolyzes fatty acids from S-acylated cysteine residues in proteins such as trimeric G alpha proteins or HRAS. Also has low lysophospholipase activity
Enzyme 1 Pathways Not Available
Enzyme 1 Reactions Not Available
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 75948308 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q3MHR0 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name LYPA1_BOVIN Link Image
Enzyme 1 PDB ID 1FJ2 Link Image
Enzyme 1 PDB File Show
Enzyme 1 3D Structure
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >693 bp
ATGTGCGGCAATAACATGTCGGCTCCGCTGCCCGCCATCGTGCCTGCCGCCCGTAAGGCC
ACCGCCGCGGTGATCTTCCTTCATGGATTGGGAGACACAGGGCATGGATGGGCAGAAGCC
TTTGCCGGAATCAGAAGCGCCCACATCAAATACATCTGCCCGCATGCGCCGGTTATGCCT
GTAACATTAAATATGAACATGGCCATGCCATCATGGTTTGACATTATTGGGCTTTCGCCA
GATTCACTGGAGGATGAAACTGGAATTAAACAGGCAGCAGAAAATGTTAAAGCTTTGATA
GATCAAGAGGTGAAGAACGGCATTCCTTCTAACAGAATTATTTTGGGAGGATTTTCTCAG
GGAGGAGCTTTATCTCTGTACACGGCTCTGACCACACAGCAGAAGCTGGCCGGGGTCACC
GCTCTCAGCTGCTGGCTGCCACTGCGGGCTTCGTTTCCACAGGGCCCTATCGGTGGCGTG
AATAGAGACATTTCTATTCTTCAATGCCATGGGGACCTGGATCCTCTAGTCCCCCTGATG
TTCGGTTCTCTCACTGCTGAGAAGCTGAAGACATTGGTGAATCCAGCCAATGTGACCTTC
AGAACCTACGCAGGCATGATGCACAGTTCATGTCAACAGGAAATGATGGACATCAAGCAG
TTCATTGATAAGCTCCTACCTCCTGTTGACTGA
Enzyme 1 GenBank Gene ID BC105143 Link Image
Enzyme 1 GeneCard ID LYPLA1 Link Image
Enzyme 1 GenAtlas ID Not Available
Enzyme 1 HGNC ID Not Available
Enzyme 1 Chromosome Location Chromosome:8
Enzyme 1 Locus 8q11.23
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References Not Available
Enzyme 1 Metabolite References Not Available
Enzyme 2 [top]
Enzyme 2 ID 1138
Enzyme 2 Name Palmitoyl-protein thioesterase 1
Enzyme 2 Synonyms
  1. PPT-1
  2. Palmitoyl-protein hydrolase 1
Enzyme 2 Gene Name PPT1
Enzyme 2 Protein Sequence >Palmitoyl-protein thioesterase 1
MASSSCLWLLALAFLLGSCASLALGHLDPPAPLPLVIWHGMGDSCCNPLSMGAIKKMVEK
KIPGIHVLSLEIGKTLREDVENSFFLNVNSQVTTVCQILAKDPKLQQGYNAMGFSQGGQF
LRAVAQRCPSPPMVNLISVGGQHQGVFGLPRCPGESSHICDFIRKTLNAGAYNKAIQERL
VQAEYWHDPIREDIYRNHSIFLADINQERGVNESYKKNLMALKKFVMVKFLNDTIVDPVD
SEWFGFYRSGQAKETIPLQESTLYTQDRLGLKAMDKAGQLVFLALEGDHLQLSEEWFYAH
IIPFLE
Enzyme 2 Number of Residues 306
Enzyme 2 Molecular Weight 34142.2
Enzyme 2 Theoretical pI 6.78
Enzyme 2 GO Classification
Function
Process
Component
Enzyme 2 General Function Involved in palmitoyl-(protein) hydrolase activity
Enzyme 2 Specific Function Removes thioester-linked fatty acyl groups such as palmitate from modified cysteine residues in proteins or peptides during lysosomal degradation. Prefers acyl chain lengths of 14 to 18 carbons
Enzyme 2 Pathways Not Available
Enzyme 2 Reactions Not Available
Enzyme 2 Pfam Domain Function
Enzyme 2 Signals
  • 1-27
Enzyme 2 Transmembrane Regions
  • None
Enzyme 2 Essentiality Not Available
Enzyme 2 GenBank ID Protein 533783 Link Image
Enzyme 2 UniProtKB/Swiss-Prot ID P45478 Link Image
Enzyme 2 UniProtKB/Swiss-Prot Entry Name PPT1_BOVIN Link Image
Enzyme 2 PDB ID 1EXW Link Image
Enzyme 2 PDB File Show
Enzyme 2 3D Structure
Enzyme 2 Cellular Location Not Available
Enzyme 2 Gene Sequence >921 bp
ATGGCGTCGTCCAGCTGCTTGTGGCTCTTGGCTCTCGCTTTCCTGCTGGGTTCCTGCGCT
TCCCTGGCGCTGGGGCATCTCGACCCGCCGGCTCCCCTGCCGCTGGTGATCTGGCATGGG
ATGGGAGACAGCTGTTGTAATCCCTTAAGTATGGGTGCTATTAAAAAAATGGTTGAGAAG
AAAATACCTGGAATTCACGTCTTGTCTTTAGAGATTGGGAAGACTCTCAGAGAGGATGTG
GAGAACAGCTTCTTTTTGAATGTCAACTCCCAAGTAACAACAGTGTGTCAGATTCTTGCT
AAGGATCCTAAATTGCAGCAAGGCTACAATGCTATGGGATTCTCCCAGGGAGGCCAGTTT
CTGCGGGCAGTGGCTCAGAGATGCCCATCACCTCCCATGGTCAACCTCATCTCAGTTGGG
GGACAACATCAAGGTGTTTTTGGACTCCCTCGGTGCCCAGGAGAAAGCTCACACATCTGT
GACTTCATCAGAAAAACACTGAACGCTGGGGCTTACAACAAGGCTATACAGGAACGCCTG
GTGCAAGCAGAATACTGGCACGACCCCATCAGGGAGGACATATACCGCAACCACAGCATC
TTCCTGGCAGATATTAATCAAGAGAGAGGTGTCAATGAGTCCTACAAGAAAAACCTGATG
GCCCTCAAGAAGTTTGTGATGGTGAAATTCCTCAATGATACCATTGTGGACCCTGTGGAT
TCTGAGTGGTTTGGATTTTACAGAAGTGGCCAAGCCAAGGAGACCATTCCCTTACAGGAG
AGCACCCTATACACACAGGACCGCCTGGGGCTAAAGGCAATGGACAAGGCCGGACAGCTG
GTGTTCCTGGCTCTTGAAGGTGACCATCTTCAACTGTCTGAAGAATGGTTTTACGCCCAC
ATCATACCCTTCCTTGAGTGA
Enzyme 2 GenBank Gene ID L34261 Link Image
Enzyme 2 GeneCard ID PPT1 Link Image
Enzyme 2 GenAtlas ID Not Available
Enzyme 2 HGNC ID Not Available
Enzyme 2 Chromosome Location Chromosome:1
Enzyme 2 Locus 1p32
Enzyme 2 SNPs SNPJam Report Link Image
Enzyme 2 General References
  1. [PubMed Link Image]
Enzyme 2 Metabolite References Not Available