Structure Database (LMSD)

Common Name
20Z-nonacosenoic acid
Systematic Name
20Z-nonacosenoic acid
Synonyms
  • 20-nonacosenoic acid, (20Z)-
  • (Z)-20-Nonacosenoic acid
LM ID
LMFA01031110
Formula
Exact Mass
Calculate m/z
436.42803
Sum Composition
Status
Active

Classification

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
QNBWRUDREZEBQP-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C29H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h9-10H,2-8,11-28H2,1H3,(H,30,31)/b10-9-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC)(=O)O

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 522.56
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.4
Molar Refractivity 137.87

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Created at
-
Updated at
25th Apr 2022