Consensus flow list

Sodium Oleate

fo-844081aff7d58193

Identity

Type
Chemical salt
CAS
143-19-1
EC
205-591-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Sodium Oleate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BCKXLBQYZLBQEK-KVVVOXFISA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Na+]
IUPAC name chemrof:IUPAC_name Sodium Oleate
Molecular formula chemrof:molecular_formula C18H33NaO2, C18H33O2.Na
Molecular mass chemrof:molecular_mass 304.45
Monoisotopic mass chemrof:monoisotopic_mass 304.23782, 304.237825
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+]

Known URLs

13

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=143-19-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81860 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.083 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021077 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3527599 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/399SL044HN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.953J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18601 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18601 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84162 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23665730 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/32559 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q17397737 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
229abc3b-dd33-4963-94d5-19e138ec671b Environmental → Air → Aircraft cruise height EF 3.1 kg 0
47327944-0655-4f83-8798-b7e9a6bce9dd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
9da66750-de85-477a-a96a-1b81a4ffe747 Environmental → Air → Indoor EF 3.1 kg 0
15efde28-85d2-424b-9797-c53cde8aecc1 Environmental → Air → Long-term EF 3.1 kg 0
51b72f02-fef1-44f9-8db0-d15eb53785ea Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
9349f0bc-e08c-4bcd-ac7a-2bff1172ef9d Environmental → Air → Unknown EF 3.1 kg 0
52fd90c3-333b-4c3b-9f4c-439ce2b7bdb2 Environmental → Ground → Agricultural EF 3.1 kg 0
d0920ed5-8d42-40c7-87c4-8d5326946321 Environmental → Ground → Non-agricultural EF 3.1 kg 0
af72a611-5503-44e1-9ea5-2eb050a8ce5f Environmental → Ground → Unknown EF 3.1 kg 0
5d0a2fac-52a3-4cf5-8bb5-89bfa7cc0afd Environmental → Water → Long-term EF 3.1 kg 0
2b53c748-2f8f-4cd2-b8a5-b2ebc6d107b5 Environmental → Water → Ocean EF 3.1 kg 0
f423b85f-a694-4e3f-b67d-64338f9dfe2f Environmental → Water → Surface water EF 3.1 kg 0
66cf4937-8760-4d26-9bb7-6189fd3ebf67 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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