Itaconic Acid
fo-335b4da222a63a96
Identity
- Type
- Neutral molecule
- CAS
- 97-65-4
- EC
- 202-599-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
12- 2-Methylenebutanedioic acid
- 2-methylenesuccinic acid
- 2-methylidenebutanedioic acid
- 2-propene-1,2-dicarboxylic acid
- 4-Hydroxy-2-methylene-4-oxobutanoic acid
- Butanedioic acid, 2-methylene-
- Butanedioic acid, 2-methylene-, polymer with graphene, graft
- Butanedioic acid, methylene-
- methylenebutanedioic acid
- Methylenesuccinic acid
- propylenedicarboxylic acid
- Succinic acid, methylene-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LVHBHZANLOWSRM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) |
| IUPAC name chemrof:IUPAC_name | Itaconic Acid |
| Molecular formula chemrof:molecular_formula | C5H6O4 |
| Molecular mass chemrof:molecular_mass | 130.099 |
| Monoisotopic mass chemrof:monoisotopic_mass | 130.026609, 130.02661 |
| SMILES string chemrof:smiles_string | C=C(CC(=O)O)C(=O)O |
Known URLs
29Where 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=25119-64-6 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=97-65-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30838 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.364 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2026608 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3357 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL359159 | enrich_references.pubchem_identifier_url |
| ecmdb | ecmdb:ECMDB02092 | enrich_references.chebi_xrefs |
| gmelin | gmelin:240640 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q4516562YH | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0002092 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.149G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00490 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00490 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00033964 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA01170063 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA01170063 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1984 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=ITACONATE | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/811 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017694 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18584171 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23420787 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23610393 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24169454 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1759501 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q903311 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Itaconic_acid | enrich_references.chebi_xrefs |
| ymdb | ymdb:YMDB00716 | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 037c2839-5c46-4141-9d27-e5d66d9b9681 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| c1f175ec-c5a6-4210-bb6e-0c36a0eedbbd | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 0df6008a-ed20-4c43-8e16-df3d3b31ff9b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b6061dd9-aba2-4b2f-9022-8abdb4e345d8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7c785f01-406c-426a-a467-7ff817abdd24 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 854462bd-d83f-4709-85e5-168385c8e0b8 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 6f73ab03-419b-4f6c-9e30-11c8627a6b9f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| ee71ed47-5f4f-44b4-94ba-d233da8036b4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 5cce3949-c3ce-4a0b-bfc2-b66115cf1914 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 809af863-cf9a-450b-8bb6-bd91e1b5508c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 53c920eb-6fa8-41b7-9215-d039d8ad02bb | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 54d42a1e-d782-4243-be2c-fa39b6ad19b8 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 005e2728-a16b-4d94-b011-09d7d081a54d | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works