Structure Database (LMSD)

Common Name
Gibberellin A14
Systematic Name
Synonyms
LM ID
LMPR0104170015
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)
NJEWNTGSXKRWKA-MJPABCAUSA-N
InChi (Click to copy)
InChI=1S/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12+,13+,14-,15+,18+,19-,20+/m1/s1
SMILES (Click to copy)
[C@]123[C@@H](C(=O)O)[C@@]4([H])[C@@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)[C@]1([H])CC[C@@H](C(=C)C2)C3

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11858
CHEBI ID
29588
PubChem CID
443451

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
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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