Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:16:06 UTC
Update Date2022-08-12 20:09:00 UTC
Metabolite IDMMDBc0054510
Metabolite Identification
Common Namehopan-22-ol
Descriptionhopan-22-ol, also known as 22-hopanol or 22-hydroxyhopane, belongs to the class of organic compounds known as hopanoids. These are terpenoids containing hopane skeleton(A'-Neogammacerane), a pentacyclic structure with four cyclohexane rings and one cyclopentane ring (and often, a side chain emerging from C30). Thus, hopan-22-ol is considered to be a hopanoid lipid molecule. hopan-22-ol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Synonyms
ValueSource
22-HopanolChEBI
22-HydroxyhopaneChEBI
29,29-Dimethyl-21,30-dinorgammaceran-29-olChEBI
A'-neogammaceran-22-olChEBI
DiplopterolChEBI
Hopan-22-olMeSH, KEGG
Molecular FormulaC30H52O
Average Mass428.745
Monoisotopic Mass428.401816294
IUPAC Name2-[(1R,2R,5S,6S,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-6-yl]propan-2-ol
Traditional Namediplopterol
CAS Registry NumberNot Available
SMILES
[H][C@@]1(CC[C@@]2(C)[C@@]1([H])CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCCC(C)(C)[C@]3([H])CC[C@@]12C)C(C)(C)O
InChI Identifier
InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1
InChI KeyPNJBOAVCVAVRGR-UDCAXGDQSA-N