CHEBI:185431 - Pentane-1,5-diol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pentane-1,5-diol
ChEBI ID CHEBI:185431
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H12O2
Net Charge 0
Average Mass 104.149
Monoisotopic Mass 104.08373
InChI InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey ALQSHHUCVQOPAS-UHFFFAOYSA-N
SMILES OCCCCCO
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing Pentane-1,5-diol (CHEBI:185431) is a primary alcohol (CHEBI:15734)
IUPAC Name
pentane-1,5-diol
Manual Xrefs Databases
13839441 ChemSpider
9JE PDBeChem
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Registry Number Type Source
111-29-5 CAS Registry Number ChemIDplus