Structure Database (LMSD)

O O H H O HO OH
Common Name
Gibberellin A51-catabolite
Systematic Name
Synonyms
LM ID
LMPR0104170011
Formula
C19H22O5
Exact Mass
Calculate m/z
330.146725
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)
JBJGOHHQQSPYTO-BLMVKCSQSA-N
InChi (Click to copy)
InChI=1S/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t10-,13+,14-,15-,18-,19+/m1/s1
SMILES (Click to copy)
[C@@]123[C@@]([H])(CC[C@@H](C(=C)C1)C2)C1[C@@]([H])([C@](C)(C(=O)O)CC(=O)C=1)[C@@H]3C(=O)O

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11854
CHEBI ID
29600
PubChem CID
443447

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 318.57
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.67
Molar Refractivity 85.09

Admin

Created at
-
Updated at
-