Azelaic Acid
fo-88de81388625f263
Identity
- Type
- Neutral molecule
- CAS
- 123-99-9
- EC
- 204-669-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
18- 1,7-dicarboxyheptane
- 1,7-Heptanedicarboxylic acid
- 1,9-nonanedioic acid
- acide azelaique
- acidum azelaicum
- anchoic acid
- Azelainsaeure
- Azelex
- Azelic acid
- Aziderm
- Crodacid DC 1195
- Finacea
- lepargylic acid
- n-nonanedioic acid
- Nonandisaeure
- Nonanedioic acid
- Skinoren
- α,ω-Nonanedioic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BDJRBEYXGGNYIS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) |
| IUPAC name chemrof:IUPAC_name | Azelaic Acid |
| Molecular formula chemrof:molecular_formula | C9H16O4 |
| Molecular mass chemrof:molecular_mass | 188.223 |
| Monoisotopic mass chemrof:monoisotopic_mass | 188.104859, 188.10486 |
| SMILES string chemrof:smiles_string | O=C(O)CCCCCCCC(=O)O |
Known URLs
39Where 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:1101094 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=123-99-9 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=26776-28-3 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48131 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.246 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8021640 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00548 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00548 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:270 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/270 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=19493 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757406 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1238 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:261342 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F2VW3D43YT | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000784 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.058G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C08261 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D03034 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C08261 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D03034 | enrich_references.pubchem_identifier_url |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA01170054 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA01170054 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1976 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD0-1265 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47407 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:AZ1 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA164754850 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1238 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2266 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=002603 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22770225 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24280644 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28600633 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1101094 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/18602 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q413504 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Azelaic_Acid | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Azelaic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a4e78b9a-1c50-442c-be78-1ddaa714f34a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| d0bb29c3-db44-4601-8812-4634b4c6131a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 35b3cd1d-6482-43f1-a1f2-cd50e35cf6ce | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| a8b3cc6e-3291-4ba2-a932-162e16eabe6d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e9a724f6-284e-4f14-a0db-42f4b7d322bd | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 47e6be54-83f8-4ff1-ba2f-4819ce13bd10 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 825fb3d0-e5fd-4841-b6f4-879e335c4614 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| eb9aed41-f604-4d54-83d7-3ee9f8a5280a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 7025d72c-6979-4391-9b28-08426f924938 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 1823c645-6e88-41af-b1f4-6b54c28cd088 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2dff266b-f901-47e7-bb5e-2c82f470b58c | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2c06e28f-5163-4744-9bba-c746d881d0a2 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3680d8f3-217b-4a9b-936a-fc29ea38e76f | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 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