Structure Database (LMSD)

Common Name
Nuciferoic Acid
Systematic Name
11-oxo-14-nonacosenoic acid
Synonyms
  • Nuciferoate
LM ID
LMFA01060224
Formula
C29H54O3
Exact Mass
Calculate m/z
450.407295
Sum Composition
FA 29:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cocos nucifera (#13894)
Magnoliopsida (#3398)
Isolation and Characterization of Nuciferoic Acid, a Novel Keto Fatty Acid with Hyaluronidase Inhibitory Activity from Cocos nucifera Linn. Endocarp.,
Curr Top Med Chem, 2018
Pubmed ID: 30582479

String Representations

InChiKey (Click to copy)
BSDRFFLTAKTFLT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28(30)26-23-20-17-15-18-21-24-27-29(31)32/h16,19H,2-15,17-18,20-27H2,1H3,(H,31,32)
SMILES (Click to copy)
C(CCCCCCCCCC(=O)CCC=CCCCCCCCCCCCCCC)(=O)O

Other Databases

PubChem CID
171120724

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 528.71
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 9.58
Molar Refractivity 138.26

Admin

Created at
12th Mar 2020
Updated at
20th Feb 2024