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> Main
CHEBI:138631 - heptadecanal
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ChEBI Ontology
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ChEBI Name
heptadecanal
ChEBI ID
CHEBI:138631
Definition
A long-chain fatty aldehyde that is heptadecane carrying an oxo substituent at position 1. It is found in citrus.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Molfile
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Molfile
Formula
C17H34O
Net Charge
0
Average Mass
254.452
Monoisotopic Mass
254.26097
InChI
InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
InChIKey
PIYDVAYKYBWPPY-UHFFFAOYSA-N
SMILES
C(CCCCCCCCCCC(=O)[H])CCCCC
Metabolite of Species
Details
Porophyllum ruderale
(NCBI:txid169599)
Found in leaf
(BTO:0000713)
. See:
DOI
Porophyllum gracile
(NCBI:txid176571)
Found in leaf
(BTO:0000713)
. See:
DOI
Milleporidae
(NCBI:txid51116)
See: Electronic Journal of Natural Substances, 2007, 2, 1-4
Roles Classification
Biological Role
(s):
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
1-heptadecanal
NIST Chemistry WebBook
heptadecan-1-al
ChEBI
heptadecanal
UniProt
hexadecyl aldehyde
ChEBI
margaraldehyde
ChEBI
n-heptadecanal
NIST Chemistry WebBook
Manual Xrefs
Databases
C00042579
KNApSAcK
CPD-14719
MetaCyc
HMDB0031039
HMDB
LMFA06000097
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1707800
Reaxys Registry Number
Reaxys
629-90-3
CAS Registry Number
NIST Chemistry WebBook
629-90-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
18634791
PubMed citation
Europe PMC
19916514
PubMed citation
Europe PMC
24254711
PubMed citation
Europe PMC
25619114
PubMed citation
Europe PMC
Last Modified
12 October 2017