UCSF

ZINC06845904

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 30 Yes

Popular Name: Squalene Squalene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 111-02-4 , 7683-64-9 , [111-02-4] , [7683-64-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 9.62 21.69 -1.09 0 0 0 0 410.73 15 ↓

Vendor Notes

Note Type Comments Provided By
MP 5 TCI
Mp [°C] 75 Acros Organics
Melting_Point 75? Alfa-Aesar
Melting_Point 75° Alfa-Aesar
BP 252 / 5 TCI
BP [°C] 285 (p=25 torr) Acros Organics
Boiling_Point 285?/25mm Alfa-Aesar
Boiling_Point 285°/25mm Alfa-Aesar
UniProt Database Links DCD_DRYCA; EFPP_MYCBO; EFPP_MYCTU; ERG11_ARATH; ERG11_BRANA; ERG12_ARATH; ERG12_BRANA; ERG13_ARATH; ERG14_ARATH; ERG15_ARATH; ERG16_ARATH; ERG1_ASHGO; ERG1_CANAL; ERG1_CANGA; ERG1_HUMAN; ERG1_MOUSE; ERG1_PANGI; ERG1_RAT; ERG1_SCHPO; ERG1_YEAST; FABPL_RAT ChEBI
Patent Database Links EP0814080; EP1022272; EP1217001; EP1332763; EP1364957; EP1364958; EP1375496; EP1394144; EP1400529; EP1407782; EP1424013; EP1428531; EP1457490; EP1514553; EP1528066; EP1544208; EP1547581; EP1548024; EP1550458; EP1550668; EP1559710; EP1574210; EP1574534; EP ChEBI
Reactome Database Links REACT_9420; REACT_9504 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Cholesterol biosynthesis

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