Structure Database (LMSD)

H H O HO OH O
Common Name
Gibberellin A53 aldehyde
Systematic Name
Synonyms
LM ID
LMPR0104170029
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)
DHEPJQQWDJWPJY-XQIDNCIUSA-N
InChi (Click to copy)
InChI=1S/C20H28O4/c1-12-9-19-11-20(12,24)8-5-14(19)17(2)6-4-7-18(3,16(22)23)15(17)13(19)10-21/h10,13-15,24H,1,4-9,11H2,2-3H3,(H,22,23)/t13-,14-,15-,17-,18+,19+,20-/m0/s1
SMILES (Click to copy)
[C@@]123CC([C@@](CC[C@@]1([H])[C@]1([C@@]([H])([C@](C)(C(=O)O)CCC1)[C@@H]2C=O)C)(O)C3)=C

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11905
CHEBI ID
29601
PubChem CID
443494

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 3.48
Molar Refractivity 89.74

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Created at
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Updated at
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