Structure Database (LMSD)

Common Name
gibberellin A2
Systematic Name
Synonyms
LM ID
LMPR0104070003
Status
Active
Exact Mass
Calculate m/z
350.17294
Formula
C19H26O6
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Totarane and nagilactone diterpenoids [PR010407]

String Representations

InChiKey (Click to copy)
OJDCBRZJXYBPFZ-UIEKCWFXSA-N
InChi (Click to copy)
InChI=1S/C19H26O6/c1-16(24)8-18-7-9(16)3-4-10(18)19-6-5-11(20)17(2,15(23)25-19)13(19)12(18)14(21)22/h9-13,20,24H,3-8H2,1-2H3,(H,21,22)/t9-,10-,11+,12-,13-,16-,17-,18-,19-/m1/s1
SMILES (Click to copy)

References

Other Databases

CHEBI ID
36774
PubChem CID
16020007

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 322.92
Topological Polar Surface Area 106.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.19
Molar Refractivity 86.83

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Updated at
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