(8R)-8-hydroxyhexadecanedioic acid

Details

• Internal ID: 5fe5c571-455c-4309-b2a8-9c0f236e2fc7
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: (8R)-8-hydroxyhexadecanedioic acid
• SMILES (Canonical): C(CCCC(CCCCCCC(=O)O)O)CCCC(=O)O
• SMILES (Isomeric): C(CCC[C@H](CCCCCCC(=O)O)O)CCCC(=O)O
• InChI: InChI=1S/C16H30O5/c17-14(11-7-4-5-9-13-16(20)21)10-6-2-1-3-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)/t14-/m1/s1
• InChI Key: GZQVGXLMHGPBET-CQSZACIVSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₃₀O₅
• Molecular Weight: 302.41 g/mol
• Exact Mass: 302.20932405 g/mol
• Topological Polar Surface Area (TPSA): 94.80 Ų
• XlogP: 3.50

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
CHEMBL4040	P28482	MAP kinase ERK2	96.49%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.23%	96.09%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	92.93%	92.26%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.46%	99.17%
CHEMBL2581	P07339	Cathepsin D	91.50%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.72%	91.11%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.91%	100.00%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	80.16%	95.17%
CHEMBL1781	P11387	DNA topoisomerase I	80.02%	97.00%

Plants that contains it

• Pinus radiata

Cross-Links

• PubChem: 162979953
• LOTUS: LTS0101640
• wikiData: Q105024536