Consensus flow list

Calcium Disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl} (carboxylatomethyl) Amino)acetate

fo-045af67c4cccb96d

Identity

Type
Chemical salt
CAS
62-33-9
EC
200-529-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Calcium Disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl} (carboxylatomethyl) Amino)acetate

Alternative labels

64

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SHWNNYZBHZIQQV-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4
IUPAC name chemrof:IUPAC_name Calcium Disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl} (carboxylatomethyl) Amino)acetate
Molecular formula chemrof:molecular_formula C10H12CaN2Na2O8, C10H12N2O8.Ca.2Na
Molecular mass chemrof:molecular_mass 374.27
Monoisotopic mass chemrof:monoisotopic_mass 374.00149, 374.001495
SMILES string chemrof:smiles_string O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]

Known URLs

43

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
agr agr:IND43730012 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=62-33-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4757 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.522 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.5883.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2036409 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB14598 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB14598 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200375 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB000747 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8U5D034955 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0301765 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J970.174E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00571 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00571 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D07934 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=154979 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C334 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C90829 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1200375 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6093170 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10656273 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11262064 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12087561 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12087562 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12972688 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15452883 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16496492 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17004042 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19852620 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21740960 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21977482 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22985977 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24444909 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25554795 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26022042 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26460059 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29889577 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9826078 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1371967 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1903 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q9189390 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Sodium_calcium_edetate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
63e3105a-49ec-400d-aa2f-ad7b72819e31 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d47c376f-49ec-4150-8d24-08de240cf1fd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f8a0bed7-b39a-4ffd-ae84-4775d1a36e49 Environmental → Air → Indoor EF 3.1 kg 4
72d250c9-a391-4661-b683-19ff6799ebc6 Environmental → Air → Long-term EF 3.1 kg 0
dca89fd9-d5de-40a3-865c-2f212c8e1d56 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fcd456e9-f9bd-4b3e-9116-74d71173063e Environmental → Air → Unknown EF 3.1 kg 4
813aac85-a05a-4ad4-9b57-23af4a575190 Environmental → Ground → Agricultural EF 3.1 kg 4
aaff97cb-ddbe-4d70-a362-db77124a9fa7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
579d1008-d0f8-45dc-823e-650a55b3174f Environmental → Ground → Unknown EF 3.1 kg 4
2c407bf4-f6c9-4492-91a4-77db6a178b33 Environmental → Water → Long-term EF 3.1 kg 0
7d64fa5d-0fbd-411a-9b4a-d83efa3af76c Environmental → Water → Ocean EF 3.1 kg 4
a9ec90c9-88bb-44f9-bfe2-fe5dba928b15 Environmental → Water → Surface water EF 3.1 kg 4
f7513282-0874-42bb-8552-40cebf3e68eb Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-045af67c4cccb96d",
  "prefLabel": [
    {
      "@value": "Calcium Disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl} (carboxylatomethyl) Amino)acetate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "(Ethylenedinitrilo)tetraacetic acid calcium disodium salt",
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      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Adsorbonac",
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      "provenance": {
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      }
    },
    {
      "@value": "Antallin",
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    },
    {
      "@value": "CaEDTA",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calciate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, disodium, (OC-6-21)-",
      "@language": "en",
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      }
    },
    {
      "@value": "Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, disodium, (OC-6-21)-",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:2), (OC-6-21)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "calcioedetato de sodio",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calcitetracemate disodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium disodium (ethylenedinitrilo)tetraacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "calcium disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calcium disodium edathamil",
      "@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=62-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "calcium disodium edetate",
      "@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_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium disodium EDTA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium disodium ethylenediamine tetraacetic 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_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium disodium ethylenediaminetetraacetate",
      "@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_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calcium disodium ethylenediaminetetraacetic acid",
      "@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=62-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium disodium Versenate",
      "@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=62-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "calcium edetate de sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium EDTA",
      "@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_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium EDTA disodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:62-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=62-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "calcium sodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate (1/2/1)",
      "@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_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium sodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate (1:2:1)",
      "@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_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calcium sodium edetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:62-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=62-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "calcium sodium EDTA",
      "@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_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calcium titriplex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:62-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=62-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CaNa2EDTA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_4757"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Detoxamin",
      "@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=62-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium [(ethylenedinitrilo)tetraacetato]calciate",
      "@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=62-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium calcium edetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_4757"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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