Structure Database (LMSD)

Common Name
Gibberellin A9
Systematic Name
Synonyms
LM ID
LMPR0104170020
Formula
C19H24O4
Exact Mass
Calculate m/z
316.16746
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)
MHVYWTXXZIFXDT-YGNOGLJPSA-N
InChi (Click to copy)
InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
SMILES (Click to copy)

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11863
CHEBI ID
29605
PubChem CID
443456
PDB ID
J5X

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 302.70
Topological Polar Surface Area 65.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.45
Molar Refractivity 82.93

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Created at
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Updated at
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