Consensus flow list

Streptozotocin

fo-c8943d388347fb8c

Identity

Type
Neutral molecule
CAS
18883-66-4
EC
242-646-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Streptozotocin

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

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZSJLQEPLLKMAKR-GKHCUFPYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16), InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CN(N=O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
IUPAC name chemrof:IUPAC_name 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]urea, 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea, 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]urea, 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]urea, 3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-1-methyl-1-nitroso-urea
Molecular formula chemrof:molecular_formula C8H15N3O7
Molecular mass chemrof:molecular_mass 265.222
Monoisotopic mass chemrof:monoisotopic_mass 265.091
SMILES string chemrof:smiles_string CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O

Known URLs

37

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=18883-66-4 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=66395-18-4 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9288 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.754 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00428 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00428 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757321 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G44151BN enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8H27GUR065 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014572 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C07313 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D05932 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07313 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05932 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42786 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C845 enrich_references.pubchem_identifier_url
patent patent:FR1434920 enrich_references.chebi_xrefs
patent patent:US2005271747 enrich_references.chebi_xrefs
patent patent:US2005272738 enrich_references.chebi_xrefs
patent patent:US2008085882 enrich_references.chebi_xrefs
patent patent:US4156777 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451514 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/29327 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000668 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12613763 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23151907 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23333576 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23600389 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23612842 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23662406 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2954873 enrich_references.chebi_xrefs
reaxys reaxys:2060675 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/10114 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q257331 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Streptozocin enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Streptozotocin enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
3e4c8d53-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
fe0acd60-3ddc-11dd-a200-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a1ff-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b62-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a1fe-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a1fc-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b66-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a1fd-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b64-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b67-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b63-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b65-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c8943d388347fb8c",
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      "@value": "Streptozotocin",
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      "@value": "2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose",
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    {
      "@value": "2-Deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-D-glucose",
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    {
      "@value": "2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-D-glucopyranose",
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    },
    {
      "@value": "D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-",
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    },
    {
      "@value": "Estreptozocin",
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      "@value": "estreptozocina",
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    {
      "@value": "Glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, D-",
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    },
    {
      "@value": "N-D-Glucosyl-(2)-N'-nitrosomethylharnstoff",
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      "@value": "N-D-Glucosyl-(2)-N'-nitrosomethylurea",
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    },
    {
      "@value": "streptozocine",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Streptozocinium",
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    },
    {
      "@value": "streptozocinum",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Streptozoticin",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "STRZ",
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      }
    },
    {
      "@value": "STZ",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Zanosar",
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    {
      "@value": "An N-nitrosourea that is an antibiotic produced by Streptomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals.",
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    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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