Brightway Flows 1.0
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3-phenylpropionic Acid

fo-3b8f3d9fa00846a9

Identity

Type
Neutral molecule
CAS
501-52-0
EC
207-924-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3-phenylpropionic Acid

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XMIIGOLPHOKFCH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
IUPAC name chemrof:IUPAC_name 3-phenylpropionic Acid
Molecular formula chemrof:molecular_formula C9H10O2
Molecular mass chemrof:molecular_mass 150.177
Monoisotopic mass chemrof:monoisotopic_mass 150.06808
SMILES string chemrof:smiles_string O=C(O)CCc1ccccc1

Known URLs

30

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=501-52-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28631 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.204 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2047064 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02024 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02024 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9272 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL851 enrich_references.pubchem_identifier_url
ecmdb ecmdb:ECMDB00764 enrich_references.chebi_xrefs
femaflavor.org https://www.femaflavor.org/flavor-library/3-phenylpropionic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:102198 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5Q445IN5CU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000764 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.601H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C05629 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C05629 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37413 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=3-PHENYLPROPIONATE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:HCI enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL851 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/107 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=110926 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=504453 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18062653 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20972783 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23470767 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24216280 enrich_references.chebi_xrefs
reaxys reaxys:907515 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q4358522 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenylpropanoic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
beb62605-9191-439e-8b55-d685eb0e5b82 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e0065047-6be0-4685-a271-fe77f4a944a1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9642294b-2444-47c4-914f-0c5350e0990c Environmental → Air → Indoor EF 3.1 kg 2
8580748e-d900-4ddb-b781-f13e590a8549 Environmental → Air → Long-term EF 3.1 kg 0
24654ba2-6984-44e3-96bb-c52bdfb99a50 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3801fe6b-1f4f-4402-837e-6cadf05976af Environmental → Air → Unknown EF 3.1 kg 2
7b8d4325-f7ff-4995-8206-0f2929bb1a3f Environmental → Ground → Agricultural EF 3.1 kg 2
a84757e6-2bcc-41c5-b715-d15e90d5e996 Environmental → Ground → Non-agricultural EF 3.1 kg 2
66bae465-1618-4e34-b893-35dbffb801d2 Environmental → Ground → Unknown EF 3.1 kg 2
a7981f48-98fd-4260-b3e4-81204917c16c Environmental → Water → Long-term EF 3.1 kg 0
96ea7d88-8fe1-48be-9182-151ea305e663 Environmental → Water → Ocean EF 3.1 kg 2
90395532-2948-4d96-a592-1b26a37a7d4e Environmental → Water → Surface water EF 3.1 kg 2
0ed57b51-7bb4-44d2-9e69-8cfa652cc28b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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