L-ascorbic Acid 2-glucoside
fo-823ad64e363534ec
Identity
- Type
- Neutral molecule
- CAS
- 129499-78-1
- EC
- 425-980-0
- 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
4- 2-O-α-D-Glucopyranosyl-L-ascorbic acid
- 2-O-α-D-Glucosyl-L-ascorbic acid
- Ascofresh
- L-Ascorbic acid, 2-O-α-D-glucopyranosyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MLSJBGYKDYSOAE-DCWMUDTNSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| IUPAC name chemrof:IUPAC_name | 2-O-α-D-Glucopyranosyl-L-ascorbic acid |
| Molecular formula chemrof:molecular_formula | C12H18O11 |
| Molecular mass chemrof:molecular_mass | 338.265 |
| Monoisotopic mass chemrof:monoisotopic_mass | 338.08491, 338.084911 |
| SMILES string chemrof:smiles_string | O=C1OC(C(O)CO)C(O)=C1OC1OC(CO)C(O)C(O)C1O |
Known URLs
19Where 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=129499-78-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81685 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.102.444 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.114.373 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50926423 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11335 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2011961 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G32886OM | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2V52R0NHXW | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J346.163G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18339 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18339 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=126144 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C221860 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL2011961 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/54693473 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1306933 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q27155554 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Ascorbyl_glucoside | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1e632355-785d-4ee9-bce9-a015a415cb57 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 424e42f3-2492-4bf4-b596-fb3f36e69b1f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e638f60f-167c-43ad-bb2e-a6e62e61197a | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9df97acf-9b5d-447f-889d-8a2d3450d051 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e99ccfa8-8b8c-4402-89a8-3969b280ca0c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 80bcbce1-c1a2-4e3d-95d1-b3e331f2c9b3 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 0eb52e8a-e3b6-4aed-8771-e4d31af56a42 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| e8a533e6-f827-463b-9672-ec730d210e96 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| da2ed0d9-01a9-4811-96db-327ec1fe2d4f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4131daed-4568-4552-a01a-6eb19a2a2f36 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5527ac26-58cf-4453-96e7-b802dd83b683 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 09a0fa41-8a35-4b1e-b8e8-35d2aa8d6584 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6da8b76a-647f-46ce-beee-b6e313b77315 | 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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