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Bovine Metabolome Database

Showing metabocard for (22Alpha)-hydroxy-campest-4-en-3-one (BMDB12113)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2009-04-06 17:19:25
Update Date 2009-06-02 16:11:40
Accession Number BMDB12113
Common Name (22Alpha)-hydroxy-campest-4-en-3-one
Description 22alpha-Hydroxy-campest-4-en-3-one is involved in the brassinosteroid biosynthesis pathway. 22alpha-Hydroxy-campest-4-en-3-one is created from either campest-4-en-3-one or 22alpha-Hydroxy-campesterol, through the actions of steroid 22-alpha-hydroxylase [EC:1.14.13.-] or Sax1, respectively. 22alpha-Hydroxy-campest-4-en-3-one is then converted to 22alpha-Hydroxy-5alpha-campestan-3-one by steroid reductase DET2 [EC:1.3.99.-].
Synonyms Not Available
Chemical IUPAC Name Not Available
Chemical Formula C28H46O2
Chemical Structure Structure
Chemical Taxonomy
  • Organic
Super Class
Sub Class
  • Mammalian_Metabolite
  • ketone; secondary alcohol; alkene
  • Endogenous
Average Molecular Weight 414.664
Monoisotopic Molecular Weight 414.349792
Isomeric SMILES CC(C)[C@H](C)C[C@H](O)[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID Not Available
PubChem Compound Not Available
PubChem Substance Not Available
ChEBI ID Not Available
CAS Registry Number Not Available
InChI Identifier InChI=1/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22?,23?,24?,25?,26+,27+,28-/m1/s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1.64e-04 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity 5.13 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Not Available
Not Available
Predicted 13C NMR Spectrum Not Available
Not Available
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References Not Available