Consensus flow list

Identity

Type
Chemical salt
CAS
527-09-3
EC
208-408-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Copper Di-d-gluconate

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

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OCUCCJIRFHNWBP-IYEMJOQQSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
Isomeric SMILES string chemrof:isomeric_smiles_string O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Cu+2]
IUPAC name chemrof:IUPAC_name Copper Di-d-gluconate
Molecular formula chemrof:molecular_formula 2C6H11O7.Cu, C12H22CuO14
Molecular mass chemrof:molecular_mass 453.84
Monoisotopic mass chemrof:monoisotopic_mass 453.03055, 453.030553
SMILES string chemrof:smiles_string O=C([O-])C(O)C(O)C(O)C(O)CO.O=C([O-])C(O)C(O)C(O)C(O)CO.[Cu+2]

Known URLs

16

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=527-09-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31431 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.645 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4035960 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11246 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RV823G6G67 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.667B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C12278 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02395 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C12278 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02395 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80050 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10692 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2839 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q3109285 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Copper_gluconate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c8afcc52-037c-425f-8526-a58d0159cf04 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e53377d2-25cd-4d75-bf4a-1de1fe954221 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
14c6bceb-99c6-4c32-9cf7-b49086764472 Environmental → Air → Indoor EF 3.1 kg 2
1323ce74-f2da-4db5-89c6-d29bb070a3e2 Environmental → Air → Long-term EF 3.1 kg 0
1fd2dbca-3b1c-4ef0-941b-99de5039e715 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
22f36043-41f2-4b30-a1d7-3039142dd83b Environmental → Air → Unknown EF 3.1 kg 2
a7fbb56b-8e39-4fd2-bbde-480ec3f210fd Environmental → Ground → Agricultural EF 3.1 kg 2
f3d50d18-413e-446d-8a21-397e3c1f3718 Environmental → Ground → Non-agricultural EF 3.1 kg 2
92c8ffc1-6a16-4b0e-84cb-ff5b8cbc5650 Environmental → Ground → Unknown EF 3.1 kg 2
6de44714-a1a9-479a-b1e7-092447c6ebf0 Environmental → Water → Long-term EF 3.1 kg 0
1c66bfaa-fee4-43d0-a85f-945e3d662429 Environmental → Water → Ocean EF 3.1 kg 2
67e0e1a5-6fa1-4917-90a5-2337b82db1e6 Environmental → Water → Surface water EF 3.1 kg 2
08990de9-85bb-4cad-aff1-0e8eb212e304 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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  ],
  "altLabel": [
    {
      "@value": "Bis(D-gluconato-κO1,κO2)copper",
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    },
    {
      "@value": "Cupric gluconate",
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    },
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      "@value": "Helshas Cu",
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    },
    {
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