UCSF

ZINC08219000

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 27 No

Popular Name: LPA(16:0/0:0) LPA(16:0/0:0)

Find On: PubMed — Wikipedia — Google

CAS Number: 17618-08-5

Other Names:

(2R)-2-hydroxy-3-(phosphonatooxy)propyl hexadecanoate; 1-hexadecanoyl-sn-glycerol 3-phosphate

(2R)-2-hydroxy-3-(phosphonooxy)propyl palmitate

(2R)-3-(hexadecanoyloxy)-2-hydroxypropoxyphosphonic acid

1-hexadecanoyl-phosphatidic acid; 1-Palmitoyl lysophosphatidate; 1-Palmitoyl lysophosphatidic acid; 1-palmitoyl-glycero-3-phosphate; 1-Palmitoylglycerol 3-phosphate; 1-Palmitoyllysophosphatidate; 1-Palmitoyllysophosphatidic acid; 1,2-Diacyl-sn-glycerol 3-

1-Hexadecanoyl-phosphatidic acid; 1-Palmitoyl lysophosphatidate; 1-Palmitoyl lysophosphatidic acid; 1-Palmitoyl-glycero-3-phosphate; 1-Palmitoylglycerol 3-phosphate; 1-Palmitoyllysophosphatidate; 1-Palmitoyllysophosphatidic acid; 2-Hydroxy-3-(phosphonooxy

1-Hexadecanoyl-phosphatidic acid;1-Palmitoyl lysophosphatidate;1-Palmitoyl lysophosphatidic acid;1-Palmitoyl-glycero-3-phosphate;1-Palmitoylglycerol 3-phosphate;1-Palmitoyllysophosphatidate;1-Palmitoyllysophosphatidic acid;2-Hydroxy-3-(phosphonooxy)propyl

1-hexadecanoyl-sn-glycero-3-phosphate

1-Hexadecanoyl-sn-glycero-3-phosphate; 1-Palmitoylglycerol 3-phosphate; C04036

1-Palmitoyl Lysophosphatidic Acid (sodium salt)

1-palmitoyl-sn-glycerol 3-phosphate

1-palmitoyl-sn-glycerol 3-phosphate(2-)

1-PALMITOYLGLYCEROL-3-PHOSPHATE; 1-palmitoylglycerol 3-phosphate

CHEBI:11279; CHEBI:664; CHEBI:19078

Hexadecanoic acid, 2-hydroxy-3-(phosphonooxy)propyl ester, (R)-; Palmitin, 1-mono-, 3-(dihydrogen phosphate), L-; 1-Palmitoyl-sn-glycerol 3-phosphate; 1-Palmitoyl-sn-glyceryl 3-phosphate

PA(16:0/0:0)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.42 10.47 -130.72 1 7 -2 119 408.472 20 ↓
Mid Mid (pH 6-8) 5.42 9.28 -47.13 2 7 -1 116 409.48 20 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 17 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 10 0.41 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )