Structure Database (LMSD)

Common Name
gibberellin A19
Systematic Name
Synonyms
  • GA19
  • Gibberellin 19
  • Gibberellin A19
LM ID
LMPR0104170039
Formula
C20H26O6
Exact Mass
Calculate m/z
362.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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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)
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

Other Databases

KEGG ID
C02034
CHEBI ID
28731
PubChem CID
5460209

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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