5-amino-2-hydroxybenzoic Acid
fo-61eabbf392dd38ff
Identity
- Type
- Neutral molecule
- CAS
- 89-57-6
- EC
- 201-919-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
38- 2-Hydroxy-5-aminobenzoic acid
- 3-carboxy-4-hydroxyaniline
- 5-Aminosalicylic acid
- 5-ASA
- Apriso
- Asacol
- Asacolitin
- Asacolon
- Asalit
- Benzoic acid, 5-amino-2-hydroxy-
- Canasa
- Claversal
- Colasa
- Delzicol
- Fisalamine
- Fivasa
- Iialda
- Ipocol
- Lialda
- Lixacol
- m-Aminosalicylic acid
- Mesacol
- Mesalamine
- mesalazina
- Mesalazine
- mesalazinum
- Mesalsal
- Mesasal
- MeSH ID: D019804
- Mezavant
- Novo-5 ASA
- p-Aminosalicylsaeure
- Pentasa
- Rovasa
- Rowasa
- Salicylic acid, 5-amino-
- Salofalk
- Salozinal
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KBOPZPXVLCULAV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) |
| IUPAC name chemrof:IUPAC_name | 5-amino-2-hydroxybenzoic Acid |
| Molecular formula chemrof:molecular_formula | C7H7NO3 |
| Molecular mass chemrof:molecular_mass | 153.137 |
| Monoisotopic mass chemrof:monoisotopic_mass | 153.04259, 153.042593 |
| SMILES string chemrof:smiles_string | Nc1ccc(O)c(C(=O)O)c1 |
Known URLs
37Where 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=89-57-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6775 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.745 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5024506 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00244 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00244 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1710 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1710 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=38877 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759301 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL704 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4Q81I59GXC | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014389 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.511B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D00377 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07138 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00377 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5427 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42646 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-12711 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29249 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450384 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/6T8QBZGXYBS5 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL704 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4075 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10648473 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22304735 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22648999 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23137838 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23146664 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23302220 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28166217 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2090421 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/52582 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q412479 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Mesalamine | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Mesalazine | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c4114b8c-4254-4a91-92c2-41848fad53f5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6865bc07-b5fa-4aa6-8e08-abb802bc640c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fa071b0f-65f5-4163-9cf2-ac6201abd5e1 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| e47036ac-8edf-4808-93b8-b7813d0b5ed4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 47574986-d129-46d3-a8f2-83180d28d097 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 41eb5dbf-bf2c-4573-b015-d8a02499ed0d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 6715f457-2681-4496-b56a-b9520a7ebe32 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 2f5668cf-0f11-4f16-9cae-64221e81e8cc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 1ac97551-ee55-4e04-9203-03ed3eaba03c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 269d0455-126e-4de7-9739-572f1c134fd7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c6d2a97b-7cfd-49e0-8a8d-2b8917cd34ce | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d4abe849-24fb-4e5c-a873-e2dbae9fa654 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4c114537-2338-48e9-9edc-1b20329ec64c | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-61eabbf392dd38ff",
"prefLabel": [
{
"@value": "5-amino-2-hydroxybenzoic Acid",
"@language": "en",
"@lang": "en",
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}
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],
"altLabel": [
{
"@value": "2-Hydroxy-5-aminobenzoic acid",
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"CAS:89-57-6",
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],
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}
},
{
"@value": "3-carboxy-4-hydroxyaniline",
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},
{
"@value": "5-Aminosalicylic acid",
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}
},
{
"@value": "5-ASA",
"@language": "en",
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}
},
{
"@value": "Apriso",
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},
{
"@value": "Asacol",
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},
{
"@value": "Asacolitin",
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},
{
"@value": "Asacolon",
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}
},
{
"@value": "Asalit",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzoic acid, 5-amino-2-hydroxy-",
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}
},
{
"@value": "Canasa",
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}
},
{
"@value": "Claversal",
"@language": "en",
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}
},
{
"@value": "Colasa",
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],
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}
},
{
"@value": "Delzicol",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fisalamine",
"@language": "en",
"@lang": "en",
"provenance": {
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}
},
{
"@value": "Fivasa",
"@language": "en",
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"https://commonchemistry.cas.org/detail?cas_rn=89-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Iialda",
"@language": "en",
"@lang": "en",
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}
},
{
"@value": "Ipocol",
"@language": "en",
"@lang": "en",
"provenance": {
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],
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}
},
{
"@value": "Lialda",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lixacol",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "m-Aminosalicylic acid",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Mesacol",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mesalamine",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "mesalazina",
"@language": "en",
"@lang": "en",
"provenance": {
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],
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}
},
{
"@value": "Mesalazine",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "mesalazinum",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Mesalsal",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=89-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mesasal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "MeSH ID: D019804",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mezavant",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Novo-5 ASA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:89-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=89-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Aminosalicylsaeure",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Pentasa",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Rovasa",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Rowasa",
"@language": "en",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Salicylic acid, 5-amino-",
"@language": "en",
"@lang": "en",
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}
},
{
"@id": "reaxys:2090421",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
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}
],
"created_from": {
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"reason": "",
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],
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}
}
},
"classifications": {
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"@value": [
"89-57-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=89-57-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
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],
"provenance": {
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},
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"@value": [
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],
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],
"provenance": {
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],
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}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.",
"@language": "en",
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],
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}
],
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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