Consensus flow list

Identity

Type
Neutral molecule
CAS
141-82-2
EC
205-503-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Malonic Acid

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OFOBLEOULBTSOW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
IUPAC name chemrof:IUPAC_name Malonic Acid
Molecular formula chemrof:molecular_formula C3H4O4
Molecular mass chemrof:molecular_mass 104.061
Monoisotopic mass chemrof:monoisotopic_mass 104.010959, 104.01096
SMILES string chemrof:smiles_string O=C(O)CC(=O)O

Known URLs

33

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=141-82-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30794 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.003 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.166.741 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1085 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021659 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02175 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02175 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8124 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL7942 enrich_references.pubchem_identifier_url
gmelin gmelin:2550 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9KX7ZMG0MK enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000691 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2917.19.35.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.541K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00383 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00383 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C02028 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C04025 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001193 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01170041 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01170041 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1964 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=71493 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=MALONATE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:MLA enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL7942 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/867 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017691 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
reaxys reaxys:1751370 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q421972 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Malonic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c1066bab-4753-4ee2-9b42-2949d1d58748 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fba15ca4-be41-4903-aac4-12074e4bffbc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ea323d10-6c71-4b3d-9b29-8efb550e23f6 Environmental → Air → Indoor EF 3.1 kg 2
6a7c554c-f0e4-4730-a208-a5fef1d6a524 Environmental → Air → Long-term EF 3.1 kg 0
9892ea78-1750-47a4-9489-18ee4c08ebec Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
59be821f-e4f9-40f8-a34f-4b377e59b094 Environmental → Air → Unknown EF 3.1 kg 2
e73b4769-c22a-4cdf-a0ea-23a957748cb7 Environmental → Ground → Agricultural EF 3.1 kg 2
0d4bc05c-84fa-46be-9c57-602749f7f759 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3aa9ab98-721c-4d18-b8fb-3d6057f964f6 Environmental → Ground → Unknown EF 3.1 kg 2
a3c7567e-f3a5-44d0-b209-bba3343cbec6 Environmental → Water → Long-term EF 3.1 kg 0
17b14f29-78bc-43b4-b2bd-b111e72cf269 Environmental → Water → Ocean EF 3.1 kg 2
f5cbf61f-8c64-45e2-8ae7-1e39ddd0797a Environmental → Water → Surface water EF 3.1 kg 2
4a48db2a-1801-4f6e-9e10-c9a0c09306ef 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
{
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      "@value": "Carboxyacetic acid",
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    },
    {
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    {
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    },
    {
      "@value": "Methanedicarboxylic acid",
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    },
    {
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