Brightway Flows 1.0
GitHub

Dimethyl Sulfoxide

fo-f70b2c316fffae9c

Identity

Type
Neutral molecule
CAS
67-68-5
EC
200-664-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Dimethyl Sulfoxide

Alternative labels

41

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IAZDPXIOMUYVGZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
IUPAC name chemrof:IUPAC_name Dimethyl Sulfoxide
Molecular formula chemrof:molecular_formula C2H6OS
Molecular mass chemrof:molecular_mass 78.136
Monoisotopic mass chemrof:monoisotopic_mass 78.013936, 78.01394
SMILES string chemrof:smiles_string CS(C)=O

Known URLs

72

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=67-68-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28262 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.604 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0459 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.659.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021735 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01093 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01093 enrich_references.pubchem_identifier_url
drugcentral drugcentral:906 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/906 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760436 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=763 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL504 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/methylsulfinylmethane enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB000764 enrich_references.chebi_xrefs
gmelin gmelin:1556 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YOW8V9698H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002151 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.130.885F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.933J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11143 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01043 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11143 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01043 enrich_references.pubchem_identifier_url
knapsack knapsack:C00053120 enrich_references.chebi_xrefs
lincs.smallmolecule lincs.smallmolecule:LSM-36361 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38047 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=DMSO enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C437 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:DMS enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449342 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL504 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/679 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000690 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10298633 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11162043 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11350866 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11474739 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12663039 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15237653 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15588915 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15868171 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16434015 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16522014 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19096138 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19382398 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19443933 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20828537 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21426213 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22030943 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22722716 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22768202 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22814967 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23050031 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23313473 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28220525 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29938311 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31489176 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3510103 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3898376 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3916302 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4223708 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4556944 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4963226 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6309056 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6379027 enrich_references.chebi_xrefs
reaxys reaxys:506008 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/3455 enrich_references.pubchem_identifier_url
umbbd.compound umbbd.compound:c0236 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q407927 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dimethyl_sulfoxide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
32a9c916-3cf9-4233-ba4d-09dc93a10f2a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7cb4473b-68fd-4747-aa78-0358194e0544 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
63ae8b1a-da0c-494b-959f-63faef403f41 Environmental → Air → Indoor EF 3.1 kg 4
1c2a89a8-f1fe-4198-b2e1-f8aa7b251f6e Environmental → Air → Long-term EF 3.1 kg 0
d2940527-06ba-4c04-a045-4ef5f6f36dd8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ddf8b1eb-24c3-4818-a83a-2e13911ce34c Environmental → Air → Unknown EF 3.1 kg 4
43453ad8-5ee5-401d-aa71-22edaeb5bc8c Environmental → Ground → Agricultural EF 3.1 kg 4
cdada56e-7768-4652-89c8-a2461ea5dc77 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d704c39b-fa24-4b0d-9c62-129f36337abe Environmental → Ground → Unknown EF 3.1 kg 4
0f578a1a-3813-464c-8c14-2a8b468ead7e Environmental → Water → Long-term EF 3.1 kg 0
b91a6dd6-9ca0-40e0-bd68-8e11a0d3ad0b Environmental → Water → Ocean EF 3.1 kg 4
2429f968-572d-450c-9573-770e6e6026fa Environmental → Water → Surface water EF 3.1 kg 4
adb9a9e9-af2c-40e3-9290-0c246a067d53 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f70b2c316fffae9c",
  "prefLabel": [
    {
      "@value": "Dimethyl Sulfoxide",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "(CH3)2SO",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(methanesulfinyl)methane",
      "@language": "en",
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    },
    {
      "@value": "1,1′-Sulfinylbis[methane]",
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    {
      "@value": "24: PN: CN117099771 SEQID: 24 sequence",
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    {
      "@value": "Demasorb",
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    },
    {
      "@value": "Demavet",
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    },
    {
      "@value": "Demeso",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Demsodrox",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dimethyl sulfur oxide",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "dimethyl sulphoxide",
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "dimethyli sulfoxidum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dimethylsulfoxid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dimethylsulfoxide",
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      "@lang": "en",
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        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dimethylsulfoxyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_28262"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "dimetil sulfoxido",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_28262"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dimexide",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimexidum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:67-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dipirartril-tropico",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DMSO",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_28262"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "DMSO Evol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dolicur",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Domoso",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:67-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dromisol",
      "@language": "en",
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Durasorb",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Gamasol 90",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:67-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Herpid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:67-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hyadur",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:67-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=67-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Infiltrina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_28262"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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