PCIDB

KNApSAcK Metabolite C00001231

Metabolite

KNApSAcK Entry

id C00001231
Name Caprylic acid / Octanoic acid / n-Octanoic acid
CAS RN 124-07-2
Standard InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
Standard InChI (Main Layer) InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

Cluster

Phytochemical cluster No. 68
KCF-S cluster No. 1141

Link

ChEMBL

By standard InChI CHEMBL324846
By standard InChI Main Layer CHEMBL324846

KEGG

By LinkDB C06423

CTD

By CAS RN C031492

Human Protein / Gene in interaction

10 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9HAW8 UDP-glucuronosyltransferase 1-10 Enzyme CHEMBL324846 CHEMBL1908087 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL324846 CHEMBL1614544 (1)
11 / 10
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL324846 CHEMBL1614281 (1) CHEMBL1614361 (1)
3 / 2
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL324846 CHEMBL1614458 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL324846 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
Q8TCC7 Solute carrier family 22 member 8 Antiporter CHEMBL324846 CHEMBL2077091 (1)
0 / 0
Q4U2R8 Solute carrier family 22 member 6 Antiporter CHEMBL324846 CHEMBL2077098 (1)
0 / 0
P04150 Glucocorticoid receptor NR3C1 CHEMBL324846 CHEMBL1794456 (2)
0 / 1
Q9HAW9 UDP-glucuronosyltransferase 1-8 Enzyme CHEMBL324846 CHEMBL1908085 (1)
0 / 0
Q9NSA0 Solute carrier family 22 member 11 Transporter CHEMBL324846 CHEMBL2077547 (1)
0 / 0

CTD interaction (2)

compound gene gene name gene description interaction interaction type form reference
pmid
C031492 128 ADH5
ADH-3
ADHX
FALDH
FDH
GSH-FDH
GSNOR
alcohol dehydrogenase 5 (class III), chi polypeptide (EC:1.1.1.1 1.1.1.284) octanoic acid inhibits the reaction [ADH5 protein results in increased reduction of S-Nitrosoglutathione] decreases reaction
/ increases reduction
protein 19428350
C031492 5465 PPARA
NR1C1
PPAR
PPARalpha
hPPAR
peroxisome proliferator-activated receptor alpha octanoic acid binds to and results in increased activity of PPARA protein affects binding
/ increases activity
protein 16731579

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (14)

OMIM preferred title UniProt
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#275210 Restrictive dermopathy, lethal P02545

KEGG DISEASE (13)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P04150 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D003128 C031492 COMA marker/mechanism
2502706