Compound: 7alpha-Hydroxycholesterol
SMILES: O[C@@H]1C=C2[C@@](CC[C@@H](C2)O)(C)[C@@H]3[C@@H]1[C@H]4[C@]([C@@H]([C@@H](CCCC(C)C)C)CC4)(C)CC3
InChIKey: OYXZMSRRJOYLLO-RVOWOUOISA-N
Synonyms: 7alpha-Hydroxycholesterol, 566-26-7, Cholest-5-ene-3beta,7alpha-diol, Cholest-5-en-3beta,7alpha-diol, 7alpha-hydroxy-cholesterol, 7-alpha-Hydroxycholesterol, 5-cholesten-3beta,7alpha-diol, (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol, 95D0I22I0V, CHEBI:17500, DTXSID40903965, Cholest-5-ene-3,7-diol, (3beta,7alpha)-, (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-3,7-diol, RefChem:1074559, DTXCID301331904, 7a-Hydroxy Cholesterol, 5-CHOLESTEN-3-BETA, 7-ALPHA-DIOL, 7alpha-hydroxy cholesterol, 7?-Hydroxy Cholesterol, 7alpha-Cholesterol, Cholest-5-ene-3,7-diol, (3.beta.,7.alpha.)-, MFCD00201416, (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol, 7-alpha-OHC, UNII-95D0I22I0V, 5JK, 7-a-Hydroxycholesterol, 7 alpha-hydroxycholesterol, 7-alpha-hydroxy cholesterol, 7 alpha -Hydroxy Cholesterol, SCHEMBL281941, CHEMBL497207, GTPL4351, orb1307115, orb3141086, cholest-5-en-3|A,7|A-diol, 5-Cholesten-3-beta,7-alpha-diol, 7.ALPHA.-HYDROXYCHOLESTEROL, 7alpha-Hydroxycholest-5-en-3betaol, HY-N7264, EX-A11516, LMST01010013, AKOS037645470, EBC-617010, FH23946, (1R,3aS,3bS,4S,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,7-diol, AS-60936, DA-51871, PD046603, (3beta,7alpha)-cholest-5-ene-3,7-diol, CS-0111004, C03594, CHOLEST-5-ENE-3.BETA.,7.ALPHA.-DIOL, G60921, 7.ALPHA.-HYDROXYCHOLEST-5-EN-3.BETA.-OL, Q155744, (3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol, (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Theoretical properties:
molecular_formula: C27H46O2
molecular_weight: 402.7 g/mol
exact_mass: 402.349780706 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 29
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 7alpha-hydroxycholesterol is the 7alpha-hydroxy derivative of cholesterol. It has a role as a mouse metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a 7alpha-hydroxy steroid and an oxysterol. It is functionally related to a cholesterol.
chebi: The 7α-hydroxy derivative of cholesterol.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: In enzymology, a 24-hydroxycholesterol 7alpha-hydroxylase (EC 1.14.14.26) is an enzyme that catalyzes the chemical reaction

The four substrates of this enzyme are 24S-hydroxycholesterol, reduced nicotinamide adenine dinucleotide phosphate (NADPH), oxygen, and a proton. Its products are (24S)-7α,24-dihydroxycholesterol, oxidised NADP+, and water.
This enzyme is a cytochrome P450-type oxidoreductase, acting on paired donors, with molecular oxygen as oxidant and incorporating one of its atoms. The systematic name of this enzyme class is (24R)-cholest-5-ene-3beta,24-diol,NADPH:oxygen oxidoreductase (7alpha-hydroxylating). Other names in common use include 24-hydroxycholesterol 7alpha-monooxygenase, CYP39A1, and CYP39A1 oxysterol 7alpha-hydroxylase.