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> Main
CHEBI:48131 - nonanedioic acid
Main
ChEBI Ontology
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ChEBI Name
nonanedioic acid
ChEBI ID
CHEBI:48131
Definition
An α,ω-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:40912, CHEBI:2949
Supplier Information
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Read full article at Wikipedia
Formula
C9H16O4
Net Charge
0
Average Mass
188.22094
Monoisotopic Mass
188.10486
InChI
InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKey
BDJRBEYXGGNYIS-UHFFFAOYSA-N
SMILES
OC(=O)CCCCCCCC(O)=O
Metabolite of Species
Details
Carthamus oxyacantha
(NCBI:txid122010)
Found in aerial part
(BTO:0001658)
. Crude ethanolic extract of aerial parts See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
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):
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
dermatologic drug
A drug used to treat or prevent skin disorders or for the routine care of skin.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
nonanedioic acid (
CHEBI:48131
)
has role
antibacterial agent (
CHEBI:33282
)
nonanedioic acid (
CHEBI:48131
)
has role
antineoplastic agent (
CHEBI:35610
)
nonanedioic acid (
CHEBI:48131
)
has role
dermatologic drug (
CHEBI:50177
)
nonanedioic acid (
CHEBI:48131
)
has role
plant metabolite (
CHEBI:76924
)
nonanedioic acid (
CHEBI:48131
)
is a
α,ω-dicarboxylic acid (
CHEBI:28383
)
nonanedioic acid (
CHEBI:48131
)
is a
dicarboxylic fatty acid (
CHEBI:189840
)
nonanedioic acid (
CHEBI:48131
)
is conjugate acid of
azelaate (
CHEBI:132955
)
nonanedioic acid (
CHEBI:48131
)
is conjugate acid of
azelaate(2−) (
CHEBI:78208
)
Incoming
1-
O
-hexadecyl-2-(8-carboxyoctanoyl)-
sn
-glycero-3-phosphocholine (
CHEBI:138940
)
has functional parent
nonanedioic acid (
CHEBI:48131
)
1-azelaoyl-
sn
-glycero-3-phosphocholine (
CHEBI:91219
)
has functional parent
nonanedioic acid (
CHEBI:48131
)
1-palmitoyl-2-azelaoyl-
sn
-glycero-3-phosphocholine (
CHEBI:61817
)
has functional parent
nonanedioic acid (
CHEBI:48131
)
2-azelaoyl-
sn
-glycero-3-phosphocholine (
CHEBI:91220
)
has functional parent
nonanedioic acid (
CHEBI:48131
)
dimethyl azelate (
CHEBI:194206
)
has functional parent
nonanedioic acid (
CHEBI:48131
)
nonanedioic acid monoglycoside (
CHEBI:142428
)
has functional parent
nonanedioic acid (
CHEBI:48131
)
azelaate (
CHEBI:132955
)
is conjugate base of
nonanedioic acid (
CHEBI:48131
)
azelaate(2−) (
CHEBI:78208
)
is conjugate base of
nonanedioic acid (
CHEBI:48131
)
IUPAC Name
nonanedioic acid
Synonyms
Sources
1,7-dicarboxyheptane
NIST Chemistry WebBook
1,7-Heptanedicarboxylic acid
KEGG COMPOUND
1,9-nonanedioic acid
ChemIDplus
acide azélaïque
ChemIDplus
acidum azelaicum
ChemIDplus
anchoic acid
NIST Chemistry WebBook
Azelaic acid
KEGG COMPOUND
AZELAIC ACID
PDBeChem
azelaic acid
ChEBI
Azelainsäure
ChEBI
lepargylic acid
ChemIDplus
n
-nonanedioic acid
NIST Chemistry WebBook
Nonandisäure
ChEBI
Nonanedioic acid
KEGG COMPOUND
Brand Names
Sources
Azelex
DrugBank
Finacea
DrugBank
Skinoren
DrugBank
Manual Xrefs
Databases
270
DrugCentral
AZ1
PDBeChem
Azelaic_Acid
Wikipedia
C08261
KEGG COMPOUND
CPD0-1265
MetaCyc
D03034
KEGG DRUG
DB00548
DrugBank
HMDB0000784
HMDB
LMFA01170054
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1101094
Beilstein Registry Number
ChemIDplus
1101094
Reaxys Registry Number
Reaxys
123-99-9
CAS Registry Number
KEGG COMPOUND
123-99-9
CAS Registry Number
ChemIDplus
123-99-9
CAS Registry Number
NIST Chemistry WebBook
261342
Gmelin Registry Number
Gmelin
Citations
Types
Sources
22770225
PubMed citation
Europe PMC
24280644
PubMed citation
Europe PMC
28600633
PubMed citation
Europe PMC
Last Modified
10 January 2023
General Comment
2018-10-31
nonanedioic is often found in samples of human urine probably as a result of dietary intake.