Consensus flow list

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

Structure diagram for Diprogulic Acid

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

Alternative labels

15

Properties

PropertyValue
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

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=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)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ef6c02a4fa6de792",
  "prefLabel": [
    {
      "@value": "Diprogulic Acid",
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  ],
  "altLabel": [
    {
      "@value": "(-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3:4,6-Bis-O-(1-methylethylidene)-α-L-xylo-2-hexulofuranosonic acid",
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    },
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      "@value": "2,3:4,6-di-O-Isopropylidene-2-keto-L-gulonic acid",
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    },
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    },
    {
      "@value": "2,3:4,6-Diacetone-2-ketogulonic acid",
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    },
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    },
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      "@value": "7H-1,3-Dioxolo[4,5]furo[3,2-d][1,3]dioxin, α-L-xylo-2-hexulofuranosonic acid deriv.",
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