Brightway Flows 1.0
GitHub

Glucose

fo-4955ce6efe61aafe

Identity

Type
Neutral molecule
CAS
50-99-7
EC
200-075-1
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Glucose

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 GZCGUPFRVQAUEE-SLPGGIOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
IUPAC name chemrof:IUPAC_name Glucose
Molecular formula chemrof:molecular_formula C6H12O6
Molecular mass chemrof:molecular_mass 180.156
Monoisotopic mass chemrof:monoisotopic_mass 180.063388
SMILES string chemrof:smiles_string O=CC(O)C(O)C(O)C(O)CO

Known URLs

11

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
beilstein beilstein:1724615 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=50-99-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17234 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17634 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42758 enrich_references.chebi_id_link
DrugBank https://go.drugbank.com/drugs/DB01914 enrich_references.chebi_xrefs
glytoucan glytoucan:G59743JO enrich_references.chebi_xrefs
gmelin gmelin:306224 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C00293 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:GLO enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Glucose enrich_references.chebi_xrefs

Elementary flows

1
Flow Context Source Unit CFs
6c99f91ee7b1dceb5611c83d60ad8ad9dc3d30e9 Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-4955ce6efe61aafe",
  "prefLabel": [
    {
      "@value": "Glucose",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_42758"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "D(+)-Glucose",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_42758"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "D-(+)-glucose",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "D-GLUCOSE IN LINEAR FORM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "D-gluco-hexose",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "D-glucose",
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    },
    {
      "@value": "DL-glucose",
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    },
    {
      "@value": "Dextrose",
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      }
    },
    {
      "@value": "Glc",
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    },
    {
      "@value": "Glukose",
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    },
    {
      "@value": "Traubenzucker",
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    },
    {
      "@value": "aldehydo-D-gluco-hexose",
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    },
    {
      "@value": "aldehydo-D-glucose",
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    },
    {
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    },
    {
      "@value": "grape sugar",
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  "properties": {
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}

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