Consensus flow list

Cystine

fo-d6ec37d635259ebe

Identity

Type
NeutralMolecule
CAS
56-89-3
EC
200-296-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Cystine

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

Alternative labels

26

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LEVWYRKDKASIDU-IMJSIDKUSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
IUPAC name chemrof:IUPAC_name Cystine
Molecular formula chemrof:molecular_formula C6H12N2O4S2
Molecular mass chemrof:molecular_mass 240.306
Monoisotopic mass chemrof:monoisotopic_mass 240.023849, 240.02385
SMILES string chemrof:smiles_string NC(CSSCC(N)C(=O)O)C(=O)O

Known URLs

30

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=56-89-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16283 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.270 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2046418 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00138 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00138 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4130 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4130 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL590540 enrich_references.pubchem_identifier_url
gmelin gmelin:397179 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/48TCX9A1VT enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000192 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.172C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00491 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D03636 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00491 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03636 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001352 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37127 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29610 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA449176 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL590540 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67678 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/14726201 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24264736 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24327171 enrich_references.chebi_xrefs
reaxys reaxys:1728094 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q106345631 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q408626 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cystine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
51c4d9d0-8bac-4aa9-8183-1b4799729c63 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
26c2eb65-1d0b-4b86-b9fc-4e3bb803ae72 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1307367e-dfbc-42ff-974d-a8f68e0a410f Environmental → Air → Indoor EF 3.1 kg 2
7c6edc96-2a8c-4e53-a170-a267ee39e624 Environmental → Air → Long-term EF 3.1 kg 0
5d5d3a49-b243-4d9d-859c-047c58514bf6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3a7cbdf8-5356-4a56-bae2-27b6b6c2f248 Environmental → Air → Unknown EF 3.1 kg 2
0bc482d0-cb0f-429e-b139-87045d34b7a9 Environmental → Ground → Agricultural EF 3.1 kg 2
5d6dd84b-379d-4d9f-888b-f4a1f631939a Environmental → Ground → Non-agricultural EF 3.1 kg 2
e5359939-7eca-4cd2-88de-956dd72da117 Environmental → Ground → Unknown EF 3.1 kg 2
2e147378-8189-4fc5-968c-b8af2d376485 Environmental → Water → Long-term EF 3.1 kg 0
ad406f1f-22f9-402b-a1d3-aac622c8ca82 Environmental → Water → Ocean EF 3.1 kg 2
894c3864-eb35-45ff-a39d-16507a5aeafa Environmental → Water → Surface water EF 3.1 kg 2
0b2b625f-ef3d-4cb9-8f1b-deb96b60b9b3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-d6ec37d635259ebe",
  "prefLabel": [
    {
      "@value": "Cystine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(-)-Cystine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(2R,2'R)-3,3'-disulfanediylbis(2-aminopropanoic acid)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(R,R)-3,3'-dithiobis(2-aminopropanoic acid)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(R-(R*,R*))-3,3'-Dithiobis(2-aminopropanoic acid)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3'-Dithiobis-L-alanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3′-Dithiobis(2-aminopropanoic acid)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[R-(R*,R*)]-3,3′-Dithiobis[2-aminopropanoic acid]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "beta,beta'-diamino-beta,beta'-dicarboxydiethyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "beta,beta'-dithiodialanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "bis(beta-amino-beta-carboxyethyl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bis(β-amino-β-carboxyethyl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cystine acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cystine, L-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dicysteine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "E921",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-(-)-Cystine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-Alanine, 3,3′-dithiobis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-alpha-Diamino-beta-dithiolactic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-Cysteine disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-Cystin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-Cystine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-Dicysteine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "oxidized L-cysteine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Propanoic acid, 3,3′-dithiobis[2-amino-, [R-(R*,R*)]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β,β′-Diamino-β,β′-dicarboxydiethyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β,β′-Dithiodialanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H12N2O4S2"
      ],
      "attested_by": {
        "C6H12N2O4S2": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:67678"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "NC(CSSCC(N)C(=O)O)C(=O)O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "semantic_typing.classify",
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1"
      ],
      "provenance": [
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          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
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