| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 28 | No |
Popular Name: Cholesterol Cholesterol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 150044-24-9 , 27246-11-3 , 57-88-5 , [57-88-5]
(1Alpha,2alpha[n]-3h)-cholesterol
57-88-5; C00187; Cholest-5-en-3beta-ol; Cholesterol
57-88-5; Cholesterol (JP16/NF); Cholesterol (TN); D00040
CHEBI:41564; CHEBI:13982; CHEBI:23204; CHEBI:3659
Cholesterol; Cholest-5-en-3-ol; (3beta)-Cholest-5-en-3-ol; Cholesteryl alcohol
| 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) | 7.62 | 12.78 | -1.53 | 1 | 1 | 0 | 20 | 386.664 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 145-147o C | Indofine |
| Mp [°C] | 147 - 150 | Acros Organics |
| Melting_Point | 147-150? | Alfa-Aesar |
| Melting_Point | 147-150° | Alfa-Aesar |
| MP | 148-150 °C | Indofine |
| MP | 149 | TCI |
| BP [°C] | 360 | Acros Organics |
| Boiling_Point | 360? | Alfa-Aesar |
| Boiling_Point | 360° | Alfa-Aesar |
| UniProt Database Links | 3BHS_MYCTU; 3O1D_MYCS2; AAPK1_HUMAN; AAPK1_MOUSE; AAPK1_PIG; AAPK1_PONAB; AAPK1_RAT; AAPK2_HUMAN; AAPK2_MOUSE; AAPK2_PIG; AAPK2_PONAB; AAPK2_RAT; ABCA1_HUMAN; ABCA1_MOUSE; ABCA3_HUMAN; ABCA3_MOUSE; ABCA6_HUMAN; ABCA7_HUMAN; ABCA7_MOUSE; ABCA7_RAT; ABCA9_H | ChEBI |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0203017A1; EP0794789A1; US4803231; US5602098; US5834434; US5856310; US5932539; US5965539; WO1996021456A1 | IBM Patent Data |
| Patent Database Links | EP0773218; EP0779367; EP0791591; EP0807627; EP0814080; EP0815857; EP0835867; EP0903143; EP0947515; EP0974573; EP0979823; EP0987251; EP0987254; EP0992496; EP1000620; EP1004306; EP1020451; EP1046396; EP1067109; EP1082313; EP1086948; EP1097935; EP1104763; EP | ChEBI |
| SOLUBILITY | H2O: 0.002 mg/mL | Indofine |
| Warnings | IRRITANT | Matrix Scientific |
| Target | Others | Selleck Chemicals |
| Reactome Database Links | REACT_10030; REACT_10052; REACT_10076; REACT_10122; REACT_10129; REACT_111034; REACT_111067; REACT_111169; REACT_12039; REACT_13408; REACT_13411; REACT_13440; REACT_13459; REACT_13506; REACT_13548; REACT_13604; REACT_13610; REACT_13622; REACT_13674; REACT | ChEBI |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Description | Species |
|---|---|
| ABCA transporters in lipid homeostasis | |
| Cell surface interactions at the vascular wall | |
| Cholesterol biosynthesis | |
| Chylomicron-mediated lipid transport | |
| Cytosolic sulfonation of small molecules | |
| Digestion of dietary lipid | |
| Endogenous sterols | |
| HDL-mediated lipid transport | |
| Hedgehog ligand biogenesis | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| LDL-mediated lipid transport | |
| Platelet sensitization by LDL | |
| Pregnenolone biosynthesis | |
| Regulation of cholesterol biosynthesis by SREBP (SREBF) | |
| Retinoid metabolism and transport | |
| Scavenging by Class A Receptors | |
| Scavenging by Class B Receptors | |
| Scavenging by Class F Receptors | |
| Scavenging by Class H Receptors | |
| Scavenging of heme from plasma | |
| Synthesis of bile acids and bile salts | |
| Synthesis of bile acids and bile salts via 24-hydroxycholesterol | |
| Synthesis of bile acids and bile salts via 27-hydroxycholesterol | |
| Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol | |
| Trafficking of dietary sterols |
No pre-computed analogs available. Try a structural similarity search.