Structure Database (LMSD)

H H OH HO O HO O O
Common Name
Gibberellin A1
Systematic Name
Synonyms
LM ID
LMPR0104170001
Formula
C19H24O6
Exact Mass
Calculate m/z
348.15729
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Gibberellins [PR010417]

String Representations

InChiKey (Click to copy)
JLJLRLWOEMWYQK-OBDJNFEBSA-N
InChi (Click to copy)
InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
SMILES (Click to copy)

References

Other Databases

Wikipedia
Gibberellin_A1
KEGG ID
C00859
CHEBI ID
27717
PubChem CID
439329
Cayman ID
34291

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 320.28
Topological Polar Surface Area 106.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.11
Molar Refractivity 86.80

Admin

Created at
-
Updated at
-