Structure Database (LMSD)

Common Name
Gibberellin A44 diacid
Systematic Name
Synonyms
LM ID
LMPR0104170008
Formula
C20H28O6
Exact Mass
Calculate m/z
364.18859
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
AXEUUXHMKSPQAI-YTJHIPEWSA-N
InChi (Click to copy)
InChI=1S/C20H28O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h12-14,21,26H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
SMILES (Click to copy)
[H][C@]12[C@@](CO)(CCC[C@@]1(C)C(=O)O)[C@]1([H])CC[C@]3(C(=C)C[C@@]1(C3)[C@H]2C(=O)O)O

Other Databases

Wikipedia
Gibberellin
KEGG ID
C06095
CHEBI ID
27531
PubChem CID
440915

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 349.94
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.62
Molar Refractivity 93.21

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Created at
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Updated at
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