Consensus flow list

Identity

Type
Neutral molecule
CAS
99-96-7
EC
202-804-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-hydroxybenzoic Acid

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FJKROLUGYXJWQN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
IUPAC name chemrof:IUPAC_name 4-hydroxybenzoic Acid
Molecular formula chemrof:molecular_formula C7H6O3
Molecular mass chemrof:molecular_mass 138.122
Monoisotopic mass chemrof:monoisotopic_mass 138.03169, 138.031694
SMILES string chemrof:smiles_string O=C(O)c1ccc(O)cc1

Known URLs

34

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=30729-36-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=99-96-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30763 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.550 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3026647 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04242 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB04242 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4961 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL441343 enrich_references.pubchem_identifier_url
ecmdb ecmdb:ECMDB00500 enrich_references.chebi_xrefs
femaflavor.org https://www.femaflavor.org/flavor-library/4-hydroxybenzoic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:3102 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JG8Z55Y12H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000500 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2918.29.22.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.201F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00156 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00156 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000856 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37280 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68533 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PHB enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/NAAR8F4VRLWP enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL441343 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018038 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/17185273 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24128482 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24236566 enrich_references.chebi_xrefs
reaxys reaxys:970950 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q229970 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Hydroxybenzoic_acid enrich_references.chebi_xrefs
ymdb ymdb:YMDB00495 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d3fd7e6c-e681-4583-88ac-e6d9132323b8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
03187888-349d-4c18-bde8-1628eb7ca4c2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f522e5f7-c19a-41c4-a53a-d8cee753589b Environmental → Air → Indoor EF 3.1 kg 4
b8c5b98b-e4c3-4883-b03e-32917a1a8bf6 Environmental → Air → Long-term EF 3.1 kg 0
5f436ac1-e38a-457d-b417-4b5ccf547cc7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
541c2ec8-ebc3-4cc5-b3fd-0e8f88d8a281 Environmental → Air → Unknown EF 3.1 kg 4
9ee5c924-1462-4e9a-99bf-5060dff08314 Environmental → Ground → Agricultural EF 3.1 kg 4
fb280150-6a15-4552-ba37-49016e83a37d Environmental → Ground → Non-agricultural EF 3.1 kg 4
62d46a9b-58ce-4eb0-b815-4fb0ea331c97 Environmental → Ground → Unknown EF 3.1 kg 4
c70433f2-4709-4db4-9645-de3d246fe9bc Environmental → Water → Long-term EF 3.1 kg 0
82dde19b-ad52-4ab9-9625-f457ac369e1c Environmental → Water → Ocean EF 3.1 kg 4
773e6d69-0104-4bd5-9c26-56576966faba Environmental → Water → Surface water EF 3.1 kg 4
3d00aa37-bc08-408d-9ede-aff4e3009b35 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@value": "4-hydroxybenzoic Acid",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Benzoic acid, 4-hydroxy-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "p-Carboxyphenol",
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    {
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    },
    {
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