Consensus flow list

Identity

Type
NeutralMolecule
CAS
89786-04-9
EC
618-303-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Tazobactam

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

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LPQZKKCYTLCDGQ-WEDXCCLWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
IUPAC name chemrof:IUPAC_name (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular formula chemrof:molecular_formula C10H12N4O5S
Molecular mass chemrof:molecular_mass 300.296
Monoisotopic mass chemrof:monoisotopic_mass 300.05284
SMILES string chemrof:smiles_string CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O

Known URLs

33

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=89786-04-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9421 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.108.321 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8023634 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01606 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01606 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2572 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2572 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL404 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SE10G96M8W enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015544 enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07771 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00660 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07771 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00660 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5323 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43592 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C62079 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TAZ enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA164764504 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL404 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/123630 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=010826 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/25098503 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25512410 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25529765 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25609660 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25662788 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25670823 enrich_references.chebi_xrefs
reaxys reaxys:4787944 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/37617 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q423376 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tazobactam enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
a57ab1e5-769e-45a0-a8d1-d556cd15a308 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5062fe1f-46e4-4795-a16b-04cc60e7d6c9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
94796c75-e1e1-4711-9713-849131a94a84 Environmental → Air → Indoor EF 3.1 kg 2
b64e441b-ef74-4a16-853b-1ae80da5cdec Environmental → Air → Long-term EF 3.1 kg 0
27a0dd5e-1742-459e-a1a3-6a298e5e43e2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2bd99301-d56d-4ba0-ba15-7a6485ed85d8 Environmental → Air → Unknown EF 3.1 kg 2
7fd2315f-4a51-42d6-b07d-c56fd37d1f18 Environmental → Ground → Agricultural EF 3.1 kg 2
88257ac1-077e-485e-86c0-4d8a92d43677 Environmental → Ground → Non-agricultural EF 3.1 kg 2
45e143e4-10b0-4628-941e-02622e70ab06 Environmental → Ground → Unknown EF 3.1 kg 2
d0ef9084-fafe-4cae-8ab6-0b175fbe08d6 Environmental → Water → Long-term EF 3.1 kg 0
530187b4-4327-40a7-b75a-caec6e7ccadc Environmental → Water → Ocean EF 3.1 kg 2
c9a2ce5d-b651-42b4-b058-39a05f7eeb23 Environmental → Water → Surface water EF 3.1 kg 2
4b99300a-03b2-44e3-a28d-097634e8c8a5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4fca4f460ce8edaf",
  "prefLabel": [
    {
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  "altLabel": [
    {
      "@value": "(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",
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    {
      "@value": "(2s,3s,5r)-3-methyl-7-oxo-3-(1h-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4,4-dioxide/n",
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    {
      "@value": "(2S,3S,5S)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide",
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    {
      "@value": "1H-1,2,3-Triazole, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid deriv.",
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      "@value": "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)-",
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    },
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    },
    {
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