Structure Database (LMSD)

Common Name
Gibberellin A34
Systematic Name
Synonyms
LM ID
LMPR0104170025
Formula
C19H24O6
Exact Mass
Calculate m/z
348.15729
Status
Curated
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)
IGZIQAJJXGRAJF-TXZPEUJSSA-N
InChi (Click to copy)
InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1
SMILES (Click to copy)
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12C[C@@H]([C@@H]([C@](C)([C@H]1[C@@H]3C(=O)O)C(=O)O2)O)O

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11868
CHEBI ID
29593
PubChem CID
443461

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 1.97
Molar Refractivity 86.73

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Created at
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Updated at
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