Structure Database (LMSD)

Common Name
Gibberellin A29-catabolite
Systematic Name
Synonyms
LM ID
LMPR0104170012
Formula
C19H22O6
Exact Mass
Calculate m/z
346.14164
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)
CFYSKMXAQIWPNE-SBECISRQSA-N
InChi (Click to copy)
InChI=1S/C19H22O6/c1-9-6-18-8-19(9,25)4-3-12(18)11-5-10(20)7-17(2,16(23)24)13(11)14(18)15(21)22/h5,12-14,25H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t12-,13+,14+,17+,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]123[C@@]([H])(CC[C@@](O)(C(=C)C1)C2)C1[C@@]([H])([C@](C)(C(=O)O)CC(=O)C=1)[C@@H]3C(=O)O

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11855
CHEBI ID
29592
PubChem CID
443448

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 327.36
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.07
Molar Refractivity 87.06

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Created at
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Updated at
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