Structure Database (LMSD)

Common Name
Gibberellin A24
Systematic Name
Synonyms
LM ID
LMPR0104170018
Formula
C20H26O5
Exact Mass
Calculate m/z
346.178025
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
QQRSSHFHXYSOMF-CXXOJBQZSA-N
InChi (Click to copy)
InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1
SMILES (Click to copy)
[C@]123C[C@@H](CC[C@@]1([H])[C@]1([C@@]([H])([C@](C)(C(=O)O)CCC1)[C@@H]2C(=O)O)C=O)C(=C)C3

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11861
CHEBI ID
32906
PubChem CID
443454

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 338.51
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.14
Molar Refractivity 89.73

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Created at
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Updated at
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