PCIDB

KNApSAcK Metabolite C00000182

Metabolite

KNApSAcK Entry

id C00000182
Name 12S-HETE / 12S-Hydroxyeicosatetraenoic acid
CAS RN
Standard InChI InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8+,13-10+,17-14+/t19-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)

Cluster

Phytochemical cluster No. 68
KCF-S cluster No. 300

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1435825 CHEMBL1526258

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1435825 CHEMBL1526258 CHEMBL1738442 (2)
0 / 0
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1435825 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1435825 CHEMBL1613933 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196

KEGG DISEASE (4)

KEGG disease name UniProt
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)