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CHEBI:89816 - tridecanal

ChEBI IDCHEBI:89816
ChEBI Nametridecanal
Stars
DefinitionA long-chain fatty aldehyde that is tridecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group.
Last Modified6 September 2021
DownloadsMolfile
FormulaC13H26O
Net Charge0
Average Mass198.350
Monoisotopic Mass198.19837
SMILES[H]C(=O)CCCCCCCCCCCC
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
InChIKeyBGEHHAVMRVXCGR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
Cistus creticus subsp. creticus (ncbitaxon:483148) - PubMed (19660770)
Coriandrum sativum (ncbitaxon:4047) - PubMed (25776008)
Paeonia tomentosa (ncbitaxon:1123986) - PubMed (30445858) Species also known as Paeonia daurica subsp. tomentosa.
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
tridecanal (CHEBI:89816) has parent hydride tridecane (CHEBI:35998)
tridecanal (CHEBI:89816) has role human metabolite (CHEBI:77746)
tridecanal (CHEBI:89816) has role volatile oil component (CHEBI:27311)
tridecanal (CHEBI:89816) is a n-alkanal (CHEBI:12834)
tridecanal (CHEBI:89816) is a long-chain fatty aldehyde (CHEBI:17176)
tridecanal (CHEBI:89816) is a saturated fatty aldehyde (CHEBI:133249)
IUPAC Name 
tridecanal
Synonyms  Source
1-tridecanalNIST Chemistry WebBook
tridecyl aldehydeNIST Chemistry WebBook
n-tridecanalNIST Chemistry WebBook
n-tridecylaldehydeNIST Chemistry WebBook
tridecane aldehydeNIST Chemistry WebBook
tridecanaldehydeNIST Chemistry WebBook
UniProt Name  Source
tridecanalUniProt
Manual XrefsDatabases
HMDB0030928HMDB
LMFA06000074LIPID MAPS
FDB002897FooDB
C00048560KNApSAcK
23643ChemSpider
Registry NumbersSources
Reaxys:1760949Reaxys
CAS:10486-19-8NIST Chemistry WebBook
CAS:10486-19-8ChemIDplus
Citations