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 L-Sorbose (RMDB01266)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:58:41
Accession Number RMDB01266
Common Name L-Sorbose
Description Sorbose is a ketose belonging to the group of sugars known as monosaccharides. The commercial production of vitamin C (ascorbic acid) often begins with sorbose.
Synonyms
  1. L(-)-Sorbose
  2. L-(-)-Sorbose
  3. L-(-)-Sorbose 99%
  4. L-1,3,4,5,6-Pentahydroxyhexan-2-one
  5. L-Sorbinose
  6. L-Sorbose
  7. L-xylo-2-Hexulose
  8. Sorbin
  9. Sorbinose
  10. Sorbose
  11. hex-2-ulose
  12. l(-) sorbose for biochemistry
  13. l-xylo-hexulose
  14. xylo-Hexulose
  15. alpha-L-Sorbopyranose
Chemical IUPAC Name 2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Chemical Formula C6H12O6
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Carbohydrates and Carbohydrate conjugates
Class
  • Carbohydrates
Sub Class
  • Monosaccharides
Family
  • Mammalian_Metabolite
Species
  • hemiacetal; primary alcohol; secondary alcohol; 1,2-diol; heterocyclic compound
Biofunction
  • Component of Fructose and mannose metabolism
Application
Source
  • Endogenous
Average Molecular Weight 180.156
Monoisotopic Molecular Weight 180.063385
Isomeric SMILES OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OCC1(O)OCC(O)C(O)C1O
KEGG Compound ID C00247 Link Image
BioCyc ID SORBOSE Link Image
BiGG ID Not Available
Wikipedia Link L-Sorbose Link Image
METLIN ID 6121 Link Image
PubChem Compound 439192 Link Image
PubChem Substance 3546 Link Image
ChEBI ID 17266 Link Image
CAS Registry Number 87-79-6
InChI Identifier InChI=1/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1
Synthesis Reference Banjopnoppakun, Tanaphat; Moonmangmee, Somporn; Moonmangmee, Duangtip. Production of L-sorbose by thermotolerant acetic acid bacteria. Proceeding of the Kasetsart University Annual Conference, 44th, Bangkok, Thailand, Jan. 30-Feb. 2, 2006 (2006), 117-123.
Melting Point (Experimental) 165 oC
Experimental Water Solubility 360.0 mg/mL at 17 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] Source: PhysProp
Predicted Water Solubility 1.19e+03 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -2.51 [Predicted by ALOGPS]; -2.4 [Predicted by PubChem via XLOGP]; -1.46 [MEYLAN,WM & HOWARD,PH (1995)] 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 Not Available
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
  • Cytoplasm
Biofluid Location
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 763.813 +/- 751.731 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)
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. Sorbitol dehydrogenase
Enzyme 1 [top]
Enzyme 1 ID 784
Enzyme 1 Name Sorbitol dehydrogenase
Enzyme 1 Synonyms
  1. L-iditol 2-dehydrogenase
Enzyme 1 Gene Name SORD
Enzyme 1 Protein Sequence >Sorbitol dehydrogenase
MAAAKPENLSLVVHGPGDLRLENYPIPEPGPNEVLLKMHSVGICGSDVHYWQHGRIGDFV
VKKPMVLGHEASGTVVKVGSLVRHLQPGDRVAIEPGAPRETDEFCKIGRYNLSPTIFFCA
TPPDDGNLCRFYKHNANFCYKLPDNVTFEEGALIEPLSVGIHACRRAGVTLGNKVLVCGA
GPIGLVSLLAAKAMGAAQVVVTDLSASRLSKAKEVGADFILQISNESPQEIAKKVEGLLG
SKPEVTIECTGVETSIQAGIYATHSGGTLVLVGLGSEMTSVPLVHAATREVDIKGVFRYC
NTWPMAISMLASKSVNVKPLVTHRFPLEKALEAFETSKKGLGLKVMIKCDPNDQNP
Enzyme 1 Number of Residues 356
Enzyme 1 Molecular Weight 38098.9
Enzyme 1 Theoretical pI 7.50
Enzyme 1 GO Classification
Function
Process
Component
Enzyme 1 General Function Amino acid transport and metabolism
Enzyme 1 Specific Function L-iditol + NAD(+) = L-sorbose + NADH
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 61554779 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q58D31 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name DHSO_BOVIN Link Image
Enzyme 1 PDB ID 1PL8 Link Image
Enzyme 1 PDB File Show
Enzyme 1 3D Structure
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >1071 bp
ATGGCGGCGGCCAAGCCCGAGAACCTCTCCCTGGTGGTGCACGGACCCGGAGACTTGCGC
TTGGAAAACTATCCTATCCCTGAACCAGGCCCAAATGAGGTGCTTCTGAAGATGCATTCT
GTTGGAATTTGTGGCTCAGATGTCCATTACTGGCAGCATGGTCGAATTGGAGATTTTGTT
GTGAAAAAGCCAATGGTGCTGGGGCATGAAGCTTCAGGAACAGTCGTAAAAGTGGGATCA
TTGGTCAGGCACCTACAACCAGGTGATCGTGTCGCCATCGAGCCTGGTGCTCCTCGAGAA
ACTGATGAGTTCTGCAAGATTGGCCGATACAATCTGTCACCTACCATCTTCTTCTGCGCC
ACGCCCCCTGATGATGGGAACCTCTGCCGGTTCTACAAGCACAATGCTAACTTCTGCTAC
AAGCTTCCTGACAATGTCACCTTTGAGGAAGGGGCCCTGATTGAGCCACTGTCTGTGGGG
ATCCATGCCTGCCGGCGAGCTGGAGTCACGCTGGGGAACAAGGTCCTTGTGTGTGGAGCT
GGGCCAATTGGACTGGTCAGTTTGCTTGCAGCCAAGGCAATGGGTGCAGCTCAAGTGGTG
GTGACTGATCTGTCAGCCTCTCGGTTGTCTAAAGCCAAGGAAGTCGGGGCTGATTTCATC
CTCCAGATCTCCAACGAGAGCCCTCAGGAAATAGCCAAGAAAGTGGAAGGCCTGCTGGGC
AGCAAGCCAGAAGTCACAATTGAGTGCACAGGGGTGGAGACCTCCATCCAAGCCGGCATC
TACGCCACTCATTCTGGTGGGACCCTGGTGTTGGTGGGGCTGGGCTCTGAGATGACCAGC
GTGCCCCTCGTGCACGCAGCCACCAGGGAGGTGGACATCAAGGGCGTGTTTCGATACTGC
AATACATGGCCGATGGCGATTTCAATGCTTGCATCCAAGTCTGTGAATGTAAAGCCCTTG
GTCACCCATCGGTTTCCTCTGGAGAAAGCTCTGGAGGCCTTTGAAACATCCAAAAAGGGT
TTGGGGTTGAAAGTCATGATCAAGTGTGACCCCAACGACCAGAATCCATGA
Enzyme 1 GenBank Gene ID BT021766 Link Image
Enzyme 1 GeneCard ID SORD Link Image
Enzyme 1 GenAtlas ID Not Available
Enzyme 1 HGNC ID Not Available
Enzyme 1 Chromosome Location Chromosome:1
Enzyme 1 Locus 15q15.3
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References
  1. [PubMed Link Image]
Enzyme 1 Metabolite References Not Available