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2,5,8,11-tetraoxatridecan-13-ol

fo-1a9a9159fa4527ef

Identity

Type
Neutral molecule
CAS
23783-42-8
EC
245-883-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,5,8,11-tetraoxatridecan-13-ol

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZNYRFEPBTVGZDN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
IUPAC name chemrof:IUPAC_name 2,5,8,11-tetraoxatridecan-13-ol
Molecular formula chemrof:molecular_formula C9H20O5
Molecular mass chemrof:molecular_mass 208.254
Monoisotopic mass chemrof:monoisotopic_mass 208.13107, 208.131074
SMILES string chemrof:smiles_string COCCOCCOCCOCCO

Known URLs

17

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=23783-42-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:189796 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.697 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1749 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.81488.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027829 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04332 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB04332 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=345692 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232586 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062236 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J97.011E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=148793 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:ETE enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1232586 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90263 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27095147 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc303dd5-93f5-4c29-bb71-868129960c14 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
92db3c79-363c-4ba4-9113-f8e02c3bd10d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4fc4e7e0-742a-42ad-85f2-f1d20ac0a53b Environmental → Air → Indoor EF 3.1 kg 4
9e581e40-aa51-4354-b411-06040c0bbb9a Environmental → Air → Long-term EF 3.1 kg 0
f6b45432-9d34-4fb4-b2b6-3758bca11a26 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ac666cb2-af86-4365-b92a-434847360062 Environmental → Air → Unknown EF 3.1 kg 4
7bfef819-addf-42c0-bf03-f91d23d12803 Environmental → Ground → Agricultural EF 3.1 kg 4
c992f23c-e863-42b9-91c5-5cc315c158e5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
06718fb7-2665-46d7-b555-da389b565a08 Environmental → Ground → Unknown EF 3.1 kg 4
2519e828-b511-4ead-8e1c-dc126a44106b Environmental → Water → Long-term EF 3.1 kg 0
39a073c2-35ba-4bed-91e5-0118ba2b74ae Environmental → Water → Ocean EF 3.1 kg 4
761132d0-34f6-496e-bc82-505eb347ff8e Environmental → Water → Surface water EF 3.1 kg 4
11976cf4-16eb-4119-a49c-a6d3a1c7e80c 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 
{
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