Mitolactol
fo-15f0c28d0d163df4
Identity
- Type
- Neutral molecule
- CAS
- 10318-26-0
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
12- 1,6-Dibromo-1,6-dideoxy-D-dulcitol
- 1,6-Dibromo-1,6-dideoxydulcitol
- 1,6-Dibromo-1,6-dideoxygalactitol
- 1,6-Dibromodulcitol
- DBD (alcohol)
- dibromdulcit
- Dibromoducitol
- Dibromodulcitol
- dibromogalactitol
- elobromol
- Galactitol, 1,6-dibromo-1,6-dideoxy-
- NCI C04795
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VFKZTMPDYBFSTM-GUCUJZIJSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4+,5+,6- |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O[C@H]([C@H](O)[C@@H](O)CBr)[C@H](O)CBr |
| IUPAC name chemrof:IUPAC_name | 1,6-Dibromo-1,6-dideoxygalactitol |
| Molecular formula chemrof:molecular_formula | C6H12Br2O4 |
| Molecular mass chemrof:molecular_mass | 307.966 |
| Monoisotopic mass chemrof:monoisotopic_mass | 305.91023, 305.910233 |
| SMILES string chemrof:smiles_string | OC(CBr)C(O)C(O)C(O)CBr |
Known URLs
16Where 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=10318-26-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135311 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8020414 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB12916 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:857 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/857 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104612 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G11283PA | enrich_references.pubchem_identifier_url |
| gnome.glyomics.org | https://gnome.glyomics.org/StructureBrowser.html?focus=G11283PA | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LJ2P1SIK8Y | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.476K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=153807 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C662 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL2104612 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5284380 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q27283015 | enrich_references.pubchem_identifier_url |
Elementary flows
12| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 29063b88-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e36-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e35-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8e6c-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e34-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8e55-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8e70-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e33-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8e6e-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8e71-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8e6d-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8e6f-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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