Allantoin
fo-90f682e7231ff2d9
Identity
- Type
- Neutral molecule
- CAS
- 97-59-6
- EC
- 202-592-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
22- (2,5-Dioxo-4-imidazolidinyl)urea
- (±)-Allantoin
- 1-(2,5-dioxoimidazolidin-4-yl)urea
- 2,5-Dioxo-4-imidazolidinyl-urea
- 4-ureido-2,5-imidazolidinedione
- 5-Ureido-2,4-imidazolidindione
- 5-Ureidohydantoin
- Allantion
- Allantol
- Cordianine
- DL-Allantoin
- Glyoxyldiureid
- Glyoxyldiureide
- Glyoxylic diureide
- MeSH ID: D000481
- N-(2,5-Dioxo-4-imidazolidinyl)urea
- N-(2,5-dioxoimidazolidin-4-yl)urea
- Psoralon
- Sebical
- Septalan
- Urea, (2,5-dioxo-4-imidazolidinyl)-
- Urea, N-(2,5-dioxo-4-imidazolidinyl)-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | POJWUDADGALRAB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) |
| IUPAC name chemrof:IUPAC_name | (2,5-Dioxo-4-imidazolidinyl)urea |
| Molecular formula chemrof:molecular_formula | C4H6N4O3 |
| Molecular mass chemrof:molecular_mass | 158.117 |
| Monoisotopic mass chemrof:monoisotopic_mass | 158.04399 |
| SMILES string chemrof:smiles_string | NC(=O)NC1NC(=O)NC1=O |
Known URLs
34Where 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=97-59-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15676 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.358 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3020043 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11100 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:4268 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/4268 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757792 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7606 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL593429 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/344S277G0Z | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000462 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.978K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01551 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00121 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01551 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00121 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00007468 | enrich_references.chebi_xrefs |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5190 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143220 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=ALLANTOIN | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C74277 | enrich_references.pubchem_identifier_url |
| patent | patent:US2158098 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA166178623 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL593429 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/204 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=011898 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11157020 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14619112 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17190852 | enrich_references.chebi_xrefs |
| reaxys | reaxys:83514 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/508 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q409804 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Allantoin | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f2747512-1453-4aa3-b3a5-5bad34d0e0b0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 9aa46d78-63d8-4440-8cf5-f131056b8cf1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d88e0baa-8117-4416-bba1-ca0529704652 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 921f1491-b631-4708-ac4b-070400aced20 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7fbbf8bb-a9c2-4b10-bce4-f027362be1cb | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| f31fe1e3-144b-464c-be59-52613b557e6d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 42d1670b-d7d6-4dc7-ace7-7d52254e0c29 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| f4818ea1-58f0-4128-82a1-f37509083b6d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 52277844-6bc8-42f5-90e8-1a2d85caddb2 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 31602742-cfdb-4cb2-85a3-6140d21055e9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 94125ac2-7f71-471d-bc1f-dcf6275428e5 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 78a54a6e-f2ed-41b0-ab40-955b22d2fd73 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 09c5d57b-88e6-44fc-96b3-0f140bd491cb | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
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{
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{
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{
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{
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{
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{
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},
{
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{
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},
{
"@value": "Psoralon",
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},
{
"@value": "Sebical",
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},
{
"@value": "Septalan",
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},
{
"@value": "Urea, (2,5-dioxo-4-imidazolidinyl)-",
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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