Survey with prize
Record Information
Version1.0
Creation date2011-09-21 00:16:13 UTC
Update date2020-09-17 15:38:54 UTC
Primary IDFDB022578
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCarbon monoxide
DescriptionCarbon monoxide, also known as [CO] or C#O, belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'. Carbon monoxide is a drug which is used as a marker of respiratory status in spirometry tests. food additive for pigment fixation in meat [l2531]. Carbon monoxide is possibly neutral. Carbon monoxide exists in all living species, ranging from bacteria to humans. In humans, carbon monoxide is involved in the metabolic disorder called congenital erythropoietic porphyria (cep) or gunther disease pathway. Outside of the human body, Carbon monoxide has been detected, but not quantified in, several different foods, such as garland chrysanthemums, alfalfa, japanese walnuts, lemon grass, and chinese chives. This could make carbon monoxide a potential biomarker for the consumption of these foods. Carbon monoxide is a potentially toxic compound. Carbon monoxide is expected to be in Cannabis as all living plants are known to produce and metabolize it.
CAS Number630-08-0
Structure
Thumb
Synonyms
SynonymSource
[CO]ChEBI
C#OChEBI
COChEBI
Monoxide, carbonHMDB
Carbon monoxidehmdb
Predicted Properties
PropertyValueSource
Water Solubility6.37 g/LALOGPS
logP-0.06ALOGPS
logS-1.1ALOGPS
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity26.23 m³·mol⁻¹ChemAxon
Polarizability1.94 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaCO
IUPAC name
InChI IdentifierInChI=1S/CO/c1-2
InChI KeyUGFAIRIUMAVXCW-UHFFFAOYSA-N
Isomeric SMILES[C-]#[O+]
Average Molecular Weight28.01
Monoisotopic Molecular Weight27.99491462
Classification
Description Belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Indirect biological role:

Biological role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)splash10-004i-9000000000-dfbb2bd73fc3d527a340Spectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-5ea4ad4bdb0565b737bbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-5ea4ad4bdb0565b737bbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-5ea4ad4bdb0565b737bbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-b175ec2a41978516a72eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-b175ec2a41978516a72eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-b175ec2a41978516a72eSpectrum
NMR
TypeDescriptionView
ChemSpider ID275
ChEMBL IDCHEMBL1231840
KEGG Compound IDC00237
Pubchem Compound ID281
Pubchem Substance IDNot Available
ChEBI ID17245
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01361
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID1749973
KNApSAcK IDNot Available
HET IDCMO
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDCarbon monoxide
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenaseADI1Q9BV57
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference