Np mrd loader

Record Information
Version1.0
Created at2022-09-05 22:11:08 UTC
Updated at2022-09-05 22:11:08 UTC
NP-MRD IDNP0220776
Secondary Accession NumbersNone
Natural Product Identification
Common Namemannobiose
DescriptionMannobiose belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Mannobiose is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. It was first documented in 2021 (PMID: 34726170). Based on a literature review a significant number of articles have been published on mannobiose (PMID: 36003897) (PMID: 35473855) (PMID: 34932878) (PMID: 34680007).
Structure
Thumb
Synonyms
ValueSource
4-O-beta-D-Mannopyranosyl-D-mannoseChEBI
WURCS=2.0/2,2,1/[a1122h-1x_1-5][a1122h-1b_1-5]/1-2/a4-b1ChEBI
4-O-b-D-Mannopyranosyl-D-mannoseGenerator
4-O-Β-D-mannopyranosyl-D-mannoseGenerator
4-O-(beta-D-Mannopyranosyl)-D-mannoseMeSH
Chemical FormulaC12H22O11
Average Mass342.2970 Da
Monoisotopic Mass342.11621 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)C(O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11?,12+/m1/s1
InChI KeyGUBGYTABKSRVRQ-KWCWEWCRSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Disaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00053459
Chemspider ID134068
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMannobiose
METLIN IDNot Available
PubChem Compound152109
PDB IDNot Available
ChEBI ID25164
Good Scents IDNot Available
References
General References
  1. Ibrahim SNMM, Bankeeree W, Prasongsuk S, Punnapayak H, Lotrakul P: Production and characterization of thermostable acidophilic beta-mannanase from Aureobasidium pullulans NRRL 58524 and its potential in mannooligosaccharide production from spent coffee ground galactomannan. 3 Biotech. 2022 Sep;12(9):237. doi: 10.1007/s13205-022-03301-4. Epub 2022 Aug 21. [PubMed:36003897 ]
  2. Mastellone J, Kabir KMM, Huang X, Donald WA: Separation of disaccharide epimers, anomers and connectivity isomers by high resolution differential ion mobility mass spectrometry. Anal Chim Acta. 2022 May 8;1206:339783. doi: 10.1016/j.aca.2022.339783. Epub 2022 Apr 4. [PubMed:35473855 ]
  3. Pitkanen EM, Siren HMM: Capillary zone electrophoresis of lipoarabinomannan by multi-layered concentration. J Sep Sci. 2022 Feb;45(4):945-959. doi: 10.1002/jssc.202100357. Epub 2022 Jan 5. [PubMed:34932878 ]
  4. Pongsapipatana N, Charoenwattanasatien R, Pramanpol N, Nguyen TH, Haltrich D, Nitisinprasert S, Keawsompong S: Crystallization, structural characterization and kinetic analysis of a GH26 beta-mannanase from Klebsiella oxytoca KUB-CW2-3. Acta Crystallogr D Struct Biol. 2021 Nov 1;77(Pt 11):1425-1436. doi: 10.1107/S2059798321009992. Epub 2021 Oct 20. [PubMed:34726170 ]
  5. van Kuijk SJA, Han Y: Efficacy of a Synergistic Blend of Organic Acids and ss-1,4 Mannobiose on Cecal Salmonella Counts and Growth Performance in Salmonella Challenged Broiler Chickens: A Meta-Analysis. Animals (Basel). 2021 Oct 17;11(10):2988. doi: 10.3390/ani11102988. [PubMed:34680007 ]
  6. LOTUS database [Link]