Brightway Flows 1.0
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Methyl Palmitate

fo-0ed0afdfc83ddc0a

Identity

Type
Neutral molecule
CAS
112-39-0
EC
203-966-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methyl Palmitate

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FLIACVVOZYBSBS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
IUPAC name chemrof:IUPAC_name Methyl Palmitate
Molecular formula chemrof:molecular_formula C17H34O2
Molecular mass chemrof:molecular_mass 270.457
Monoisotopic mass chemrof:monoisotopic_mass 270.25588
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCC(=O)OC

Known URLs

29

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=112-39-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69187 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.606 enrich_references.pubchem_identifier_url
chemidplus chemidplus:0000112390 enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4029149 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4197 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL335125 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DPY8VCM98I enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061859 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.994A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C16995 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C16995 enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010470 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4115 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8181 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017645 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/118159 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12143008 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12872920 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12939035 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13018208 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13827622 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1707612 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21240761 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22148193 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3833822 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8130610 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q16676086 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5a5fe73e-bb97-4b10-a387-56d4e9e478b4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
96cceb77-86bb-4586-a654-de6f5b7e1962 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ff730bad-1887-449a-af13-7a1bceaf2fd0 Environmental → Air → Indoor EF 3.1 kg 4
b2633a0b-9610-426b-aa48-22b628acb17e Environmental → Air → Long-term EF 3.1 kg 0
4bf009c2-8e50-455d-971c-fed8ce948043 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c0e32d92-ac33-4d53-b583-afe53dc23767 Environmental → Air → Unknown EF 3.1 kg 4
c6ee981d-ba06-4645-84a7-a8cedf47b938 Environmental → Ground → Agricultural EF 3.1 kg 4
d4cc4682-ce66-4a5d-bba5-f8baac790e17 Environmental → Ground → Non-agricultural EF 3.1 kg 4
37deb42b-6f46-4bf1-9b9b-b1594fa2d8ff Environmental → Ground → Unknown EF 3.1 kg 4
1eb66f1e-57de-4f21-96f9-f9b1d8f44607 Environmental → Water → Long-term EF 3.1 kg 0
3f7691f9-3583-48c6-818b-961e7eb30463 Environmental → Water → Ocean EF 3.1 kg 4
d296257f-3aba-4544-90ff-75a2f3a5e604 Environmental → Water → Surface water EF 3.1 kg 4
37ea47f2-edd4-4d29-8e96-2d865591b65e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-0ed0afdfc83ddc0a",
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  "altLabel": [
    {
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