Structure Database (LMSD)

Common Name
Gibberellin A37
Systematic Name
Synonyms
LM ID
LMPR0104170016
Formula
C20H28O6
Exact Mass
Calculate m/z
364.18859
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
UAKKWAVFAPTAOA-SQLMURCQSA-N
InChi (Click to copy)
InChI=1S/C20H28O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h11-15,21-22H,1,3-9H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
SMILES (Click to copy)
[C@@]123[C@@]([H])(CC[C@@H](C(=C)C1)C2)[C@]1([C@@]([H])([C@](C)(C(=O)O)[C@@H](O)CC1)[C@@H]3C(=O)O)CO

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11859
CHEBI ID
182499
PubChem CID
443452

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 349.94
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.48
Molar Refractivity 93.14

Admin

Created at
-
Updated at
-