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> Main
CHEBI:25629 - octadecanoate
Main
ChEBI Ontology
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ChEBI Name
octadecanoate
ChEBI ID
CHEBI:25629
Definition
A fatty acid anion 18:0 that is the conjugate base of octadecanoic acid (stearic acid). Stearates have a variety of uses in the pharmaceutical industry.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:231588
Supplier Information
Download
Molfile
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Molfile
Formula
C18H35O2
Net Charge
-1
Average Mass
283.470
Monoisotopic Mass
283.26425
InChI
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1
InChIKey
QIQXTHQIDYTFRH-UHFFFAOYSA-M
SMILES
C(CCCCCCCCCC)CCCCCCC(=O)[O-]
Metabolite of Species
Details
Saccharomyces cerevisiae
(NCBI:txid4932)
Source: yeast.sf.net See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
octadecanoate (
CHEBI:25629
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
octadecanoate (
CHEBI:25629
)
has role
human metabolite (
CHEBI:77746
)
octadecanoate (
CHEBI:25629
)
has role
plant metabolite (
CHEBI:76924
)
octadecanoate (
CHEBI:25629
)
is a
2-saturated fatty acid anion (
CHEBI:83955
)
octadecanoate (
CHEBI:25629
)
is a
fatty acid anion 18:0 (
CHEBI:78125
)
octadecanoate (
CHEBI:25629
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
octadecanoate (
CHEBI:25629
)
is a
straight-chain saturated fatty acid anion (
CHEBI:58954
)
octadecanoate (
CHEBI:25629
)
is conjugate base of
octadecanoic acid (
CHEBI:28842
)
Incoming
(
R
)-10-hydroxyoctadecanoate (
CHEBI:15683
)
has functional parent
octadecanoate (
CHEBI:25629
)
18-hydroxyoctadecanoate (
CHEBI:86046
)
has functional parent
octadecanoate (
CHEBI:25629
)
2-hydroxyoctadecanoate (
CHEBI:76724
)
has functional parent
octadecanoate (
CHEBI:25629
)
2-oxooctadecanoate (
CHEBI:17162
)
has functional parent
octadecanoate (
CHEBI:25629
)
3,18-dihydroxyoctadecanoate (
CHEBI:76615
)
has functional parent
octadecanoate (
CHEBI:25629
)
3-hydroxyoctadecanoate (
CHEBI:76614
)
has functional parent
octadecanoate (
CHEBI:25629
)
9,10-epoxy-18-hydroxyoctadecanoate (
CHEBI:137457
)
has functional parent
octadecanoate (
CHEBI:25629
)
N
-stearoyl-3-ketodihydrosphingosine (
CHEBI:189540
)
has functional parent
octadecanoate (
CHEBI:25629
)
N
-stearoyl-
L
-phenylalanine(1−) (
CHEBI:149700
)
has functional parent
octadecanoate (
CHEBI:25629
)
N
6
-stearoyl-
L
-lysine residue (
CHEBI:143206
)
has functional parent
octadecanoate (
CHEBI:25629
)
S
-stearoyl-
L
-cysteine group (
CHEBI:143200
)
has functional parent
octadecanoate (
CHEBI:25629
)
aluminium tristearate (
CHEBI:37867
)
has part
octadecanoate (
CHEBI:25629
)
calcium stearate (
CHEBI:190296
)
has part
octadecanoate (
CHEBI:25629
)
sodium octadecanoate (
CHEBI:132109
)
has part
octadecanoate (
CHEBI:25629
)
octadecanoic acid (
CHEBI:28842
)
is conjugate acid of
octadecanoate (
CHEBI:25629
)
IUPAC Name
octadecanoate
Synonyms
Sources
CH
3
‒[CH
2
]
16
‒COO
−
IUPAC
octadecanoate
UniProt
octadecanoic acid, ion(1−)
ChemIDplus
Stearate
KEGG COMPOUND
stearate
ChemIDplus
stearic acid, ion(1−)
ChemIDplus
Manual Xrefs
Databases
C01530
KEGG COMPOUND
STEARIC_ACID
MetaCyc
View more database links
Registry Numbers
Types
Sources
344065
Gmelin Registry Number
Gmelin
3590530
Reaxys Registry Number
Reaxys
3590530
Beilstein Registry Number
Beilstein
646-29-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16401590
PubMed citation
Europe PMC
19184617
PubMed citation
Europe PMC
3180776
PubMed citation
Europe PMC
7452460
PubMed citation
Europe PMC
Last Modified
04 April 2022