Structure Database (LMSD)

H HO H O HO O
Common Name
Gibberellin A14 aldehyde
Systematic Name
Synonyms
LM ID
LMPR0104170010
Formula
C20H28O4
Exact Mass
Calculate m/z
332.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
YMDYUWHAQBYOMU-HYAYUQHRSA-N
InChi (Click to copy)
InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-14(20)18(2)7-6-15(22)19(3,17(23)24)16(18)13(20)10-21/h10,12-16,22H,1,4-9H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20-/m1/s1
SMILES (Click to copy)
[C@]123[C@@H](C=O)[C@@]4([H])[C@@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)[C@]1([H])CC[C@@H](C(=C)C2)C3

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11853
CHEBI ID
29589
PubChem CID
443446

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 332.36
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.33
Molar Refractivity 89.67

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Created at
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Updated at
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