Consensus flow list

Identity

Type
Neutral molecule
CAS
629-62-9
EC
211-098-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Pentadecane

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YCOZIPAWZNQLMR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
IUPAC name chemrof:IUPAC_name Pentadecane
Molecular formula chemrof:molecular_formula C15H32
Molecular mass chemrof:molecular_mass 212.421
Monoisotopic mass chemrof:monoisotopic_mass 212.2504, 212.250401
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCC

Known URLs

27

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=629-62-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28897 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.090 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6027268 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB03715 enrich_references.chebi_xrefs
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=172781 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1234557 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/16H6K2S8M2 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0059886 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.702G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C08388 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C08388 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001265 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA11000006 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000006 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4711 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-7946 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:MYS enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12391 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/14598162 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15330541 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23847066 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23973758 enrich_references.chebi_xrefs
reaxys reaxys:1698194 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q150831 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pentadecane enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
172a64da-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a08f-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7311a827-9a95-4360-87e3-064b68874fcd Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a08e-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9b6e-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a08d-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
172a64d8-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
172a64db-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
172a64dd-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
172a64df-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
172a64dc-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
172a64d9-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
172a64de-6556-11dd-ad8b-0800200c9a66 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
{
  "flow_object_id": "fo-05eee66673ad7f01",
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      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "CH3-[CH2]13-CH3",
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