Structure Database (LMSD)

Common Name
Gibberellin A15
Systematic Name
Synonyms
LM ID
LMPR0104170017
Formula
C20H28O5
Exact Mass
Calculate m/z
348.193675
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)
TZGXVFYTKTWKCU-CXXOJBQZSA-N
InChi (Click to copy)
InChI=1S/C20H28O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h12-15,21H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1
SMILES (Click to copy)
[C@]123[C@@H](C(=O)O)[C@@]4([H])[C@@](CO)(CCC[C@@]4(C)C(=O)O)[C@]1([H])CC[C@@H](C(=C)C2)C3

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11860
CHEBI ID
29590
PubChem CID
443453

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 341.15
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.22
Molar Refractivity 91.24

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Created at
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Updated at
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