Satratoxin G (CHEM003602)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2014-09-08 02:39:36 UTC
Update Date2026-05-21 02:15:12 UTC
Accession NumberCHEM003602
Identification
Common NameSatratoxin G
ClassSmall Molecule
DescriptionSatratoxin G (SG) is a macrocyclic trichothecene mycotoxin produced by Stachybotrys chartarum, the black mold suggested to contribute etiologically to illnesses associated with water-damaged buildings. Satratoxin G forms covalent adducts with serum albumin. Occurrence of SG-albumin adducts in both in vitro experiments and in vivo human and animal exposures to S. chartarum which may serve as reliable dosimeter biomarker for detection of exposure to S. chartarum.
Contaminant Sources
  • T3DB toxins
Contaminant Type
  • Ester
  • Ether
  • Fungal Toxin
  • Mycotoxin
  • Natural Compound
  • Organic Compound
  • PFAS
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Isosatratoxin gMeSH
Satratoxin gMeSH
Chemical FormulaC29H36O10
Average Molecular Mass544.590 g/mol
Monoisotopic Mass544.231 g/mol
CAS Registry Number53126-63-9
IUPAC NameNot Available
Traditional Name(20Z,22E)-28-hydroxy-24-(1-hydroxyethyl)-10,16-dimethyl-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20,22-triene-4,19-dione
SMILES[H]/C1=C([H])/C(=O)OC2CC3OC4C=C(C)CCC4(COC(=O)C4OC44CCOC(C(C)O)(C4O)\C([H])=C\1/[H])C2(C)C31CO1
InChI IdentifierInChI=1S/C29H36O10/c1-16-7-9-26-14-34-23(32)22-28(39-22)10-11-35-27(17(2)30,24(28)33)8-5-4-6-21(31)38-18-13-20(37-19(26)12-16)29(15-36-29)25(18,26)3/h4-6,8,12,17-20,22,24,30,33H,7,9-11,13-15H2,1-3H3/b6-4-,8-5+
InChI KeyGTONGKBINDTWOM-QXMOYCCXSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassSesquiterpenoids
Direct ParentTrichothecenes
Alternative Parents
Substituents
  • Trichothecene skeleton
  • Macrolide
  • Oxepane
  • Dicarboxylic acid or derivatives
  • Oxane
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Carboxylic acid ester
  • Lactone
  • Secondary alcohol
  • Carboxylic acid derivative
  • Dialkyl ether
  • Oxirane
  • Ether
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Cytosol
  • Extracellular
  • Mitochondrion
  • Ribosome
Biofluid LocationsNot Available
Tissue LocationsNot Available
Pathways
NameSMPDB LinkKEGG Link
ApoptosisNot Availablemap04210
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.16 g/LALOGPS
logP2.12ALOGPS
logP0.98ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)12.66ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area136.58 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity136.12 m³·mol⁻¹ChemAxon
Polarizability54.38 ųChemAxon
Number of Rings7ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0040290000-e6bcc73352c2bc20a972Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0490020000-2c54e30320328d05c7c3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-6590000000-b13444f42291fd9bd7deSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0007-2061590000-51b3b55fd1af57781932Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004l-1091370000-1031f67ef8745edd38d9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0gk9-9730100000-9f73ebc4557f8e8869ecSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesSatratoxin G (SG) is a macrocyclic trichothecene mycotoxin produced by Stachybotrys chartarum, the black mold suggested to contribute etiologically to illnesses associated with water-damaged buildings. Satratoxin G forms covalent adducts with serum albumin.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID6437354
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available