Sucralose
fo-9ddbe13f7b0c1727
Identity
- Type
- Neutral molecule
- CAS
- 56038-13-2
- EC
- 259-952-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
17- 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside
- 1,6-Dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside
- 1,6-dichloro-1,6-dideoxy-β-d-fructofuranosyl 4-chloro-4-deoxy-α-d-galactose
- 1′,4,6′-Trichlorogalactosucrose
- 4,1′,6′-Trichloro-4,1′,6′-trideoxygalactosucrose
- Acucar Light
- Aspasvit
- Predillon SU 600
- San Sweet SA 8020
- Sansweet
- Sansweet SU 100
- Sansweet SU 200
- Splenda
- Sucrazit
- TGS
- Trichlorosucrose
- α-D-Galactopyranoside, 1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BAQAVOSOZGMPRM-QBMZZYIRSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl |
| IUPAC name chemrof:IUPAC_name | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside |
| Molecular formula chemrof:molecular_formula | C12H19Cl3O8 |
| Molecular mass chemrof:molecular_mass | 397.635 |
| Monoisotopic mass chemrof:monoisotopic_mass | 396.01455, 396.014551 |
| SMILES string chemrof:smiles_string | OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl |
Known URLs
24Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=56038-13-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32159 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1040245 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB15049 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759272 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185084 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G30984WQ | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/96K6UQ3ZD4 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031554 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2932.14.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J247.962A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C12285 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C12285 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67858 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C79882 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/5LBDFPY2P2NR | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL3185084 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/71485 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24687789 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25236212 | enrich_references.chebi_xrefs |
| reaxys | reaxys:3654410 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1439115 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q410209 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Sucralose | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f134c9c1-a7b5-4e18-9619-cd0b483975e2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| d7ad193f-e3fe-4e71-90a4-c35f7d91a329 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 12a84e32-a6f6-4b7e-b4bf-b2ecc9827653 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| a255af6f-bbe9-47fc-a0ec-7a3eab32899e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 35d96d82-85b7-4ee6-a76d-9fc268ca5d9e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 4c10977f-c7ff-4230-9e41-06af647a03c2 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 7905f320-ae7b-427d-a7e1-b2437dc79c02 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 62cd673a-35c3-4f62-bc23-d223e1f211de | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 3ae94312-f7ae-43cf-ace1-86bc13aeb27f | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 8cb7a864-a30e-4c77-982d-29bc8e4b64e6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 896dff2f-f74e-4970-9bdb-23d197149a01 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| a3f2ce8c-192c-4b75-93d8-392224698562 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 3cd5acda-978f-43af-a80b-a41ac96f0622 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
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