RefMet Compound Details

RefMet ID	RM0135639
MW structure	34361 (View MW Metabolite Database details)
RefMet name	Cholesterol
Systematic name	cholest-5-en-3beta-ol
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 27:1;O	View other entries in RefMet with this sum composition
Exact mass	386.354865 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C27H46O	View other entries in RefMet with this formula
InChI	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10 -17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey	HVYWMOMLDIMFJA-DPAQBDIFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Sterols
Sub Class	Cholesterols
Pubchem CID	5997
ChEBI ID	16113
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Cholesterol

Rxn ID	KEGG Reaction	Enzyme
R01451	Cholesterol + NAD+ <=> 7-Dehydrocholesterol + NADH + H+	Cholesterol:NAD+ delta7-oxidoreductase
R01454	Cholesterol + Oxygen + 2 H+ + 2 Reduced adrenal ferredoxin <=> 20alpha-Hydroxycholesterol + H2O + 2 Oxidized adrenal ferredoxin	Cholesterol:oxygen oxidoreductase (side-chain-cleaving)
R01456	Cholesterol + NADP+ <=> 7-Dehydrocholesterol + NADPH + H+	cholesterol:NADP+ delta7-oxidoreductase
R01457	Cholesterol + NADP+ <=> Desmosterol + H+ + NADPH	cholesterol:NADP+ Delta24-oxidoreductase
R01461	Acyl-CoA + Cholesterol <=> CoA + Cholesterol ester	Acyl-CoA:cholesterol O-acyltransferase
R01462	Cholesterol ester + H2O <=> Cholesterol + Fatty acid	cholesterol ester acylhydrolase
R01463	Cholesterol + Oxygen + [Reduced NADPH---hemoprotein reductase] <=> 7alpha-Hydroxycholesterol + [Oxidized NADPH---hemoprotein reductase] + H2O	cholesterol,NADPH-hemoprotein reductase:oxygen oxidoreductase (7alpha-hydroxylating)
R02723	Cholesterol + Oxygen + 2 Reduced adrenal ferredoxin + 2 H+ <=> 22(R)-Hydroxycholesterol + H2O + 2 Oxidized adrenal ferredoxin	Cholesterol + Oxygen + 2 Reduced adrenal ferredoxin + 2 H+ <=> 22(R)-Hydroxycholesterol + H2O + 2 Oxidized adrenal ferredoxin
R07207	Cholesterol + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Cerebrosterol + [Oxidized NADPH---hemoprotein reductase] + H2O	cholesterol,NADPH-hemoprotein reductase:oxygen oxidoreductase (24-hydroxylating)
R07218	Cholesterol + Reduced acceptor + Oxygen <=> 25-Hydroxycholesterol + Acceptor + H2O	cholesterol,hydrogen-donor:oxygen oxidoreductase (25-hydroxylating)
R08505	Cholesterol + Oxygen + 2 H+ + 2 Reduced adrenal ferredoxin <=> Cholest-5-ene-3beta,26-diol + H2O + 2 Oxidized adrenal ferredoxin	cholesterol 26-hydroxylase
R08941	Cholesterol + Sulfate <=> Cholesterol sulfate + H2O	Cholesterol-sulfate sulfohydrolase
R08977	Cholesterol + 3'-Phosphoadenylyl sulfate <=> Cholesterol sulfate + Adenosine 3',5'-bisphosphate	3'-phosphoadenylyl-sulfate:cholesterol sulfotransferase

Table of KEGG human pathways containing Cholesterol

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	5
hsa00120	Primary bile acid biosynthesis	4
hsa00140	Steroid hormone biosynthesis	4
hsa01100	Metabolic pathways	2