Structure Database (LMSD)

Common Name
gibberellin A17
Systematic Name
Synonyms
  • GA17
  • gibberellin 17
LM ID
LMPR0104170034
Formula
C20H26O7
Exact Mass
Calculate m/z
378.167855
Status
Curated
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)
AUKMHZZVLPQAOX-CDNFTCFOSA-N
InChi (Click to copy)
InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1
SMILES (Click to copy)
[C@@]12(C(O)=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

CHEBI ID
24236
PubChem CID
5460657

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 356.09
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.43
Molar Refractivity 93.27

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Created at
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Updated at
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