Structure Database (LMSD)

Common Name
Carboceric acid
Systematic Name
heptacosanoic acid
Synonyms
  • C27:0
LM ID
LMFA01010027
Status
Active
Exact Mass
Calculate m/z
410.41238
Formula
C27H54O2
Abbrev
FA 27:0
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]
Straight chain fatty acids [FA0101]

String Representations

InChiKey (Click to copy)
VXZBFBRLRNDJCS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H54O2/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/h2-26H2,1H3,(H,28,29)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0002063
CHEBI ID
78710
LIPIDBANK ID
DFA0027
PubChem CID
23524
PlantFA ID
10173
SwissLipids ID
SLM:000000980
Cayman ID
36163

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 490.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.84
Molar Refractivity 128.73

Reactions

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Reactions graph legend

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Created at
-
Updated at
9th Jun 2022