(Z,17S)-17-hydroxyoctadec-9-enoic acid

Details

• Internal ID: 279b68b2-cff2-48e1-99cc-ee660e1a2309
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: (Z,17S)-17-hydroxyoctadec-9-enoic acid
• SMILES (Canonical): CC(CCCCCCC=CCCCCCCCC(=O)O)O
• SMILES (Isomeric): C[C@@H](CCCCCC/C=C\CCCCCCCC(=O)O)O
• InChI: InChI=1S/C18H34O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,17,19H,4-16H2,1H3,(H,20,21)/b3-2-/t17-/m0/s1
• InChI Key: UMIZOHMCQYCZRX-KYVUIXNKSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₄O₃
• Molecular Weight: 298.50 g/mol
• Exact Mass: 298.25079494 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 5.60

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	96.65%	99.17%
CHEMBL2581	P07339	Cathepsin D	96.26%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.44%	96.09%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	89.55%	96.47%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	88.72%	100.00%
CHEMBL1781	P11387	DNA topoisomerase I	86.74%	97.00%
CHEMBL4040	P28482	MAP kinase ERK2	85.97%	83.82%
CHEMBL3359	P21462	Formyl peptide receptor 1	85.80%	93.56%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	85.07%	97.29%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	84.54%	92.26%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.26%	96.00%
CHEMBL221	P23219	Cyclooxygenase-1	81.92%	90.17%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.25%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101678748
• LOTUS: LTS0213352
• wikiData: Q105275583