Consensus flow list

Maleic Acid

fo-8343610c4d311807

Identity

Type
Neutral molecule
CAS
110-16-7
EC
203-742-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Maleic Acid

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

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VZCYOOQTPOCHFL-UPHRSURJSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
Isomeric SMILES string chemrof:isomeric_smiles_string O=C(O)/C=C\C(=O)O
IUPAC name chemrof:IUPAC_name Maleic Acid
Molecular formula chemrof:molecular_formula C4H4O4
Molecular mass chemrof:molecular_mass 116.072
Monoisotopic mass chemrof:monoisotopic_mass 116.010959, 116.01096
SMILES string chemrof:smiles_string O=C(O)C=CC(=O)O

Known URLs

39

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:1903639 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=110-16-7 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26099-09-2 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18300 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.403 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.030.504 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.998 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1186 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021517 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04299 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB04299 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=25940 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL539648 enrich_references.pubchem_identifier_url
gmelin gmelin:49854 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/91XW058U2C enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000176 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2917.19.23.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.446E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01384 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01384 enrich_references.pubchem_identifier_url
knapsack knapsack:C00007417 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37118 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=MALEATE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C25951 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:MAE enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/G85TY71W8BTL enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL539648 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/444266 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2215 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3261 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=025527 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10952545 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11386868 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9591280 enrich_references.chebi_xrefs
reaxys reaxys:605762 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1426330 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q42038 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Maleic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f214fc3b-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-95e2-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4e913402-d562-425b-b5a0-73154b3aa734 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-95e1-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-95e3-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-95e0-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-95de-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-9eef-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-95df-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-9eed-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9ef0-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-95e4-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-9eee-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8343610c4d311807",
  "prefLabel": [
    {
      "@value": "Maleic Acid",
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      "@value": "(2Z)-Butene-2-dioic acid",
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        ],
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    },
    {
      "@value": "Beckacite F 896",
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        "prov:wasAttributedTo": "consensus-flow-list",
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    },
    {
      "@value": "cis-1,2-ethylenedicarboxylic acid",
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    },
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "cis-ethene-1,2-dioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "H2male",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_18300"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Maleinic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=110-16-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Malezid CM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=110-16-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D008298",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=110-16-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Scotchbond Multipurpose Etchant",
      "@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=110-16-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "toxilic acid",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  "properties": {
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      "@value": [
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
        "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "attested_by": {
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      "rdfs:label": "InChIKey",
      "provenance": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      },
      "rdfs:label": "Molecular mass",
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