Structure Database (LMSD)

Common Name
Gibberellin A20
Systematic Name
Synonyms
LM ID
LMPR0104170004
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)
OXFPYCSNYOFUCH-KQBHUUJHSA-N
InChi (Click to copy)
InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
SMILES (Click to copy)

Other Databases

Wikipedia
Gibberellin
KEGG ID
C02035
CHEBI ID
27742
PubChem CID
439635

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 2.85
Molar Refractivity 84.90

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Created at
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Updated at
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