Diprogulic Acid
fo-ef6c02a4fa6de792
Identity
- Type
- Chemical salt
- CAS
- 18467-77-1
- EC
- 242-348-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 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
15- (-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid
- 2,3:4,6-Bis-O-(1-methylethylidene)-α-L-xylo-2-hexulofuranosonic acid
- 2,3:4,6-di-O-Isopropylidene-2-keto-L-gulonic acid
- 2,3:4,6-Di-O-isopropylidene-L-xylo-hexulosonic acid
- 2,3:4,6-Diacetone-2-ketogulonic acid
- 2,3:4,6-Diisopropylidene-2-keto-L-gulonic acid
- 2-keto-L-Gulonic acid, diacetone deriv.
- 7H-1,3-Dioxolo[4,5]furo[3,2-d][1,3]dioxin, α-L-xylo-2-hexulofuranosonic acid deriv.
- Diacetone 2-keto-1-gulonic acid
- Diacetone-2-keto-L-gulonic acid
- Diacetone-2-ketogulonic acid
- Diacetone-2-oxo-L-gulonic acid
- L-xylo-Hexulofuranosonic acid, 2,3:4,6-di-O-isopropylidene-, α-
- Oxogulonic acid diacetonide
- α-L-xylo-2-Hexulofuranosonic acid, 2,3:4,6-bis-O-(1-methylethylidene)-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FWCBATIDXGJRMF-FLNNQWSLSA-N, TWUWNAOLNNVGJX-NWVVBLBGSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H10O8.2C3H5O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;2*1-3(2)4/h1-4,7-10H,(H,11,12)(H,13,14);2*1H2,2H3/q;2*-1/t1-,2-,3-,4+;;/m1../s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O.[CH2-]C(C)=O.[CH2-]C(C)=O |
| IUPAC name chemrof:IUPAC_name | Oxogulonic acid diacetonide |
| Molecular formula chemrof:molecular_formula | C12H18O7, C12H20O10-2 |
| SMILES string chemrof:smiles_string | O=C(O)C(O)C(O)C(O)C(O)C(=O)O.[CH2-]C(C)=O.[CH2-]C(C)=O |
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=18467-77-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81986 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.038.484 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0047454 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB19811 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2110720 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G86147ND | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3981541LXD | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.419K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18825 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18825 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65432 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1113 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/65420 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q3027939 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Diprogulic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1d7da374-816a-4f37-a47e-1b42b092c05e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| dc4beb6e-a320-46d1-b603-0c1436d6006c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6bc6d90c-802b-4c2a-9559-fac188dfd23f | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 0b27cd6c-3e69-4504-9170-9bbd00a71c72 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c2079994-1671-45d8-b19d-98088b1d6cc8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| b723a7b2-3b34-42a2-a9f6-e88696b8e038 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 410fe566-36c5-4c85-9872-d15dade45524 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1b20c829-f9fb-46e9-a6a9-beece89f7bdc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6e097ec5-88c4-41ba-b002-134bc8bc9dda | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 487e3625-6ea6-409f-8766-44e40c05e707 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b55b675c-6b78-4ce9-86ce-b5b562057c5f | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f44bde9f-cb2d-43c1-b2aa-1c54fa5dad16 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c3a72e09-d90f-4053-b9cd-73ab8a88fa3c | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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