Copper Di-d-gluconate
fo-7741192f2769a684
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
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
12- Bis(D-gluconato-κO1,κO2)copper
- Copper gluconate
- Copper(II) gluconate
- Copper, bis(D-gluconato-O1,O2)-
- Copper, bis(D-gluconato-κO1,κO2)-
- Cupric gluconate
- D-Gluconic acid, copper complex
- D-Gluconic acid, copper(2+) salt
- Gluconic acid, copper(2+) salt
- Gluconic acid, copper(2+) salt (2:1), D-
- Helshas Cu
- Labicuper
Properties
| Property | Value |
|---|---|
| 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
16Where 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)
Full record
Flow object JSON
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