Registration Dossier
Registration Dossier
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EC number: 946-364-2 | CAS number: -
Additional ecotoxological information
Administrative data
- Endpoint:
- additional ecotoxicological information
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- Prediction by "Microbial metabolism simulator" of the OECD QSAR Toolbox.
Data source
Reference
- Reference Type:
- other: Prediction by the OECD QSAR Toolbox
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
- Principles of method if other than guideline:
- Estimation of metabolites by the "Microbial metabolism simulator" of the OECD QSAR Toolbox using chemical structure (by SMILES code) as input parameter.
- GLP compliance:
- no
- Remarks:
- not applicable
Test material
- Reference substance name:
- Reaction product of D-Glucopyranoside, methyl; esterified with oleic acid, methyl ester
- EC Number:
- 946-364-2
- Molecular formula:
- C43H78O8
- IUPAC Name:
- Reaction product of D-Glucopyranoside, methyl; esterified with oleic acid, methyl ester
- Details on test material:
- SMILES code: COC1OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)C(O)C(O)C1OC(=O)CCCCCCC\C=C\CCCCCCCC
Constituent 1
Results and discussion
Any other information on results incl. tables
Please see the file listing the metabolites attached to this study record.
Applicant's summary and conclusion
- Conclusions:
- D-glucopyranoside methyl 2,6-dioleate is expected to be completely metabolised by microorganisms.
- Executive summary:
Metabolites have been predicted for D-glucopyranoside methyl di-oleate by the "Microbial metabolism simulator" of the OECD QSAR Toolbox using chemical structure (by SMILES code) as input parameter. D-glucopyranoside methyl 2,6-dioleate is expected to be completely metabolised by microorganisms. 214 metabolites were predicted. The metabolites are assessed to be fully degraded to CO2 and H2O.
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