Structure Database (LMSD)

Common Name
Gibberellin A4
Systematic Name
Synonyms
LM ID
LMPR0104170021
Formula
C19H24O5
Exact Mass
Calculate m/z
332.162375
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)
RSQSQJNRHICNNH-NFMPGMCNSA-N
InChi (Click to copy)
InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
SMILES (Click to copy)

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11864
CHEBI ID
32902
PubChem CID
443457
Cayman ID
31400
PDB ID
GA4

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 311.49
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.71
Molar Refractivity 84.83

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Created at
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Updated at
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