Record Information
Version1.0
Creation date2011-09-21 00:14:55 UTC
Update date2020-09-17 15:42:02 UTC
Primary IDFDB022496
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name4a-Methylzymosterol
Description4a-Methylzymosterol, also known as dinoproston or (15S)-prostaglandin E2, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, 4a-methylzymosterol is considered to be a sterol lipid molecule. 4a-Methylzymosterol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
CAS Number7448-03-5
Structure
Thumb
Synonyms
SynonymSource
(3b,4a,5a)-4-methylcholesta-8,24-dien-3-olhmdb
(3beta,4alpha,5alpha)-4-methylcholesta-8,24-dien-3-olhmdb
(3β,4α,5α)-4-methylcholesta-8,24-dien-3-olGenerator
(4S,5S)-4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14, 15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olhmdb
4a-methyl-5a-cholesta-8,24-dien-3b-olhmdb
4a-Methylzymosterolhmdb
4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-olhmdb
4alpha-Methylzymosterolhmdb
4α-methylzymosterolGenerator
Predicted PropertiesNot Available
Chemical FormulaC28H46O
IUPAC name
InChI IdentifierInChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1
InChI KeyFOUJWBXBKVVHCJ-YIJYGBTNSA-N
Isomeric SMILES[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C
Average Molecular Weight398.6642
Monoisotopic Molecular Weight398.354866094
Classification
ClassificationNot classified
Ontology
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Process

Naturally occurring process:

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Industrial application:

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Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID20036827
ChEMBL IDNot Available
KEGG Compound IDC05103
Pubchem Compound ID22212495
Pubchem Substance IDNot Available
ChEBI ID1949
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01217
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
Pathways
NameSMPDB LinkKEGG Link
Steroid BiosynthesisSMP00023 map00100
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference