RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0007523
RefMet name	4alpha-Methylzymosterol
Systematic name	4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Synonyms	PubChem Synonyms
Exact mass	398.354866 (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	C28H46O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	34490 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	FOUJWBXBKVVHCJ-YIJYGBTNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H]([C@@H](C)[C@@H]1CC3)O)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Sterols
Sub Class	Cholesterols
Distribution of 4alpha-Methylzymosterol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting 4alpha-Methylzymosterol
External Links
Pubchem CID	22212495
LIPID MAPS	LMST01010202
ChEBI ID	1949
KEGG ID	C05103
HMDB ID	HMDB0001217
Chemspider ID	20036827
MetaCyc ID	4-METHYL-824-CHOLESTADIENOL
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 4alpha-Methylzymosterol

Rxn ID	KEGG Reaction	Enzyme
R07495	3-Keto-4-methylzymosterol + NADPH + H+ <=> 4alpha-Methylzymosterol + NADP+	4alpha-methylzymosterol:NADP+ 3-oxidoreductase
R12403	4alpha-Methylzymosterol + 6 Ferrocytochrome b5 + 3 Oxygen + 6 H+ <=> 4alpha-Carboxy-5alpha-cholesta-8,24-dien-3beta-ol + 6 Ferricytochrome b5 + 4 H2O	4alpha-methylzymosterol,ferrocytochrome-b5:oxygen oxidoreductase (hydroxylating)

Table of KEGG human pathways containing 4alpha-Methylzymosterol

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	2