Consensus flow list

Mitobronitol

fo-3437decbfba3f602

Identity

Type
Neutral molecule
CAS
488-41-5
EC
207-676-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Mitobronitol

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VFKZTMPDYBFSTM-KVTDHHQDSA-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-/m1/s1
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-dideoxy-d-mannitol
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

22

Where 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=488-41-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34853 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.979 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022918 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13543 enrich_references.pubchem_identifier_url
drugcentral drugcentral:858 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/858 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL447629 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G76159WX enrich_references.pubchem_identifier_url
gnome.glyomics.org https://gnome.glyomics.org/StructureBrowser.html?focus=G76159WX enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5UP30YED7N enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.056G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C13522 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02020 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C13522 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02020 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=69978 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C659 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL447629 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/656655 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3859447 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Mitobronitol enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
0d79c5c5-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e76-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e75-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9e37-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e74-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e72-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e82-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e73-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-9e39-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e83-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
08a91e70-3ddc-11dd-9e38-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
08a91e70-3ddc-11dd-9e3a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3437decbfba3f602",
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  "altLabel": [
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    },
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      "@value": "dibromannit",
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    },
    {
      "@value": "mielobromol",
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      "rdfs:label": "IUPAC name",
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