CHEBI:138631 - heptadecanal

ChEBI IDCHEBI:138631
ChEBI Nameheptadecanal
Stars
DefinitionA long-chain fatty aldehyde that is heptadecane carrying an oxo substituent at position 1. It is found in citrus.
Last Modified12 October 2017
Submitternhn
DownloadsMolfile
FormulaC17H34O
Net Charge0
Average Mass254.458
Monoisotopic Mass254.26097
SMILES[H]C(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
InChIKeyPIYDVAYKYBWPPY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Porophyllum gracile (ncbitaxon:176571) leaf (BTO:0000713) DOI (10.1016/S0031-9422(98)00189-7)
Porophyllum ruderale (ncbitaxon:169599) leaf (BTO:0000713) DOI (10.1016/S0031-9422(98)00189-7)
Milleporidae (ncbitaxon:51116) - Article (Electronic Journal of Natural Substances, 2007, 2, 1-4)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
ChEBI Ontology
Outgoing Relation(s)
heptadecanal (CHEBI:138631) has role coral metabolite (CHEBI:76498)
heptadecanal (CHEBI:138631) has role plant metabolite (CHEBI:76924)
heptadecanal (CHEBI:138631) is a 2,3-saturated fatty aldehyde (CHEBI:84587)
heptadecanal (CHEBI:138631) is a long-chain fatty aldehyde (CHEBI:17176)
heptadecanal (CHEBI:138631) is a saturated fatty aldehyde (CHEBI:133249)
IUPAC Name 
heptadecanal
Synonyms  Source
n-heptadecanalNIST Chemistry WebBook
1-heptadecanalNIST Chemistry WebBook
hexadecyl aldehydeChEBI
margaraldehydeChEBI
heptadecan-1-alChEBI
UniProt Name  Source
heptadecanalUniProt
Manual XrefsDatabases
CPD-14719MetaCyc
HMDB0031039HMDB
C00042579KNApSAcK
LMFA06000097LIPID MAPS
Registry NumbersSources
Reaxys:1707800Reaxys
CAS:629-90-3ChemIDplus
CAS:629-90-3NIST Chemistry WebBook
Citations