General Information of the Compound
Compound ID
CP0420926
Compound Name
CHEBI:45919
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Synonyms
(C10-C16) Carboxylic acid
(C10-C16)Alkylcarboxylic acid
19936LIY2V
638-53-9
68002-90-4
AI3-04166
BRN 0508317
C10-16 fatty acids
C13:0
CHEBI:45919
Carboxylic acids, C10-16
EINECS 211-341-1
EINECS 268-105-6
Fatty acids, C10-16
N-Tridecanoic Acid
NSC 25955
NSC 69131
SZHOJFHSIKHZHA-UHFFFAOYSA-N
TRIDECANOIC ACID
Tridecanoic acid anion
Tridecanoic acid, &gt
Tridecylate
Tridecylic acid
UNII-19936LIY2V
WLN: QV12
n-Tridecanoate
n-Tridecanoic acid
n-Tridecanoic acid, 97%
n-Tridecoate
n-Tridecoic acid
tridecoic acid
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Structure
Formula
C13H26O2
Molecular Weight
214.349
Canonical SMILES
CCCCCCCCCCCCC(O)=O
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InChI
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
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InChIKey
SZHOJFHSIKHZHA-UHFFFAOYSA-N
CAS
638-53-9
68002-90-4
Physicochemical Property
logP
4.382
Rotatable Bonds
11
Heavy Atom Count
15
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 12530
SID: 14822523
ChEMBL ID
CHEMBL107874
DrugBank ID
DB02448
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04383, G-protein coupled receptor 84
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
EC50 = 1700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 9610 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 1930 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Tridecanoic Acid )
Drug Name N-Tridecanoic Acid
Target(s)
Phospholipase A2 (PLA2G1B)
 Target Info 
Inhibitor
Group IIA phospholipase A2 (GIIA sPLA2)
 Target Info 
Inhibitor