Structure Database (LMSD)

Common Name
gibberellin A2
Systematic Name
Synonyms
LM ID
LMPR0104070003
Formula
C19H26O6
Exact Mass
Calculate m/z
350.17294
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]
Totarane and nagilactone diterpenoids [PR010407]

String Representations

InChiKey (Click to copy)
OJDCBRZJXYBPFZ-UIEKCWFXSA-N
InChi (Click to copy)
InChI=1S/C19H26O6/c1-16(24)8-18-7-9(16)3-4-10(18)19-6-5-11(20)17(2,15(23)25-19)13(19)12(18)14(21)22/h9-13,20,24H,3-8H2,1-2H3,(H,21,22)/t9-,10-,11+,12-,13-,16-,17-,18-,19-/m1/s1
SMILES (Click to copy)

Other Databases

CHEBI ID
36774
PubChem CID
16020007

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 322.92
Topological Polar Surface Area 106.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.19
Molar Refractivity 86.83

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Created at
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Updated at
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