Structure Database (LMSD)

Common Name
gibberellin A19
Systematic Name
Synonyms
  • GA19
  • Gibberellin 19
  • Gibberellin A19
LM ID
LMPR0104170039
Status
Active
Exact Mass
Calculate m/z
362.17294
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VNCQCPQAMDQEBY-YTJHIPEWSA-N
InChi (Click to copy)
InChI=1S/C20H26O6/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/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
SMILES (Click to copy)
[C@@]12(C=O)[C@]([H])([C@H](C(O)=O)[C@@]34CC(=C)[C@@](O)(C3)CC[C@@]14[H])[C@@](C(O)=O)(C)CCC2

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 347.30
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.54
Molar Refractivity 91.70

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Created at
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Updated at
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