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> Main
CHEBI:89182 - 3-hydroxysebacic acid
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ChEBI Name
3-hydroxysebacic acid
ChEBI ID
CHEBI:89182
Definition
An α,ω-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H18O5
Net Charge
0
Average Mass
218.247
Monoisotopic Mass
218.11542
InChI
InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
InChIKey
OQYZCCKCJQWHIE-UHFFFAOYSA-N
SMILES
OC(CCCCCCC(O)=O)CC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-hydroxysebacic acid (
CHEBI:89182
)
has functional parent
sebacic acid (
CHEBI:41865
)
3-hydroxysebacic acid (
CHEBI:89182
)
has role
human urinary metabolite (
CHEBI:84087
)
3-hydroxysebacic acid (
CHEBI:89182
)
is a
α,ω-dicarboxylic acid (
CHEBI:28383
)
3-hydroxysebacic acid (
CHEBI:89182
)
is a
3-hydroxy carboxylic acid (
CHEBI:61355
)
3-hydroxysebacic acid (
CHEBI:89182
)
is a
dicarboxylic fatty acid (
CHEBI:189840
)
3-hydroxysebacic acid (
CHEBI:89182
)
is conjugate acid of
3-hydroxysebacate (
CHEBI:132934
)
3-hydroxysebacic acid (
CHEBI:89182
)
is conjugate acid of
3-hydroxysebacate(2−) (
CHEBI:132935
)
Incoming
3-hydroxysebacate (
CHEBI:132934
)
is conjugate base of
3-hydroxysebacic acid (
CHEBI:89182
)
3-hydroxysebacate(2−) (
CHEBI:132935
)
is conjugate base of
3-hydroxysebacic acid (
CHEBI:89182
)
IUPAC Name
3-hydroxydecanedioic acid
Synonyms
Sources
3-Hydroxy-decanedioic acid
HMDB
3-hydroxy-sebacic acid
LIPID MAPS
Manual Xrefs
Databases
HMDB0000350
HMDB
LMFA01170092
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
10676440
Reaxys Registry Number
Reaxys
68812-93-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
7353273
PubMed citation
Europe PMC
Last Modified
24 February 2022