Structure Database (LMSD)

Common Name
Argenonic acid
Systematic Name
6-hydroxy-6-methyl-9-oxooctacosanoic acid
Synonyms
  • Argemonic acid
LM ID
LMFA01020397
Status
Active
Exact Mass
Calculate m/z
468.41786
Formula
C29H56O4
Abbrev
FA 29:1;O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
CGTVVCFTVVGYPL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(30)24-26-29(2,33)25-21-20-23-28(31)32/h33H,3-26H2,1-2H3,(H,31,32)
SMILES (Click to copy)
C(CCCCC(C)(O)CCC(=O)CCCCCCCCCCCCCCCCCCC)(=O)O

References

Other Databases

PubChem CID
194014
PlantFA ID
10308

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 540.14
Topological Polar Surface Area 74.6
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 9.06
Molar Refractivity 140.26

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Created at
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Updated at
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