Consensus flow list

Dimethyl maleate

fo-3c0245764c1e0967

Identity

Type
Neutral molecule
CAS
624-48-6
EC
210-848-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Dimethyl maleate

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

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LDCRTTXIJACKKU-ARJAWSKDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
Isomeric SMILES string chemrof:isomeric_smiles_string COC(=O)/C=C\C(=O)OC
IUPAC name chemrof:IUPAC_name Dimethyl maleate
Molecular formula chemrof:molecular_formula C6H8O4
Molecular mass chemrof:molecular_mass 144.126
Monoisotopic mass chemrof:monoisotopic_mass 144.042259, 144.04226
SMILES string chemrof:smiles_string COC(=O)C=CC(=O)OC

Known URLs

17

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=624-48-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35460 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.862 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4040765 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5161 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2259700 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K39366X5N0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0240744 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.018I enrich_references.pubchem_identifier_url
patent patent:CN101823962 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5271565 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=208582 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21772304 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24700785 enrich_references.chebi_xrefs
reaxys reaxys:471705 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2377169 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dimethyl_maleate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
ba105b01-3ec1-4429-ab0e-d1561ae2b5b3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7df6d7ad-cbe4-42c5-ae31-ed50fa6604ad Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b1acfa09-150f-48a0-80a7-f49bd4393801 Environmental → Air → Indoor EF 3.1 kg 4
910fd4c7-061c-41de-b343-8bd207125303 Environmental → Air → Long-term EF 3.1 kg 0
54c55bff-0fd5-4c0e-859f-b4886d9b6084 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
30b5f715-531f-4f87-8223-b64a4c84dae7 Environmental → Air → Unknown EF 3.1 kg 4
99f8034e-503a-4dda-913f-8dc0b6b7250a Environmental → Ground → Agricultural EF 3.1 kg 4
3c6024a8-60aa-4b4a-92ab-625a69e7376b Environmental → Ground → Non-agricultural EF 3.1 kg 4
b5fc0b7b-e0a1-4084-871c-baf474acf669 Environmental → Ground → Unknown EF 3.1 kg 4
e22d5cdd-d770-439e-a022-87ac10b45c5c Environmental → Water → Long-term EF 3.1 kg 0
37284fbc-fc4e-4461-b35b-a45ead1e81b9 Environmental → Water → Ocean EF 3.1 kg 4
8e52bf17-6ee4-48c4-a7f6-0da0ebcff17c Environmental → Water → Surface water EF 3.1 kg 4
a52f9565-2bee-4974-b65b-f40e61bbdcb5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
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