Structure Database (LMSD)

Common Name
2-iodopalmitaldehyde
Systematic Name
2-iodohexadecanal
Synonyms
LM ID
LMFA06000281
Formula
C16H31OI
Exact Mass
Calculate m/z
366.141967
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Equus caballus (#9796)
Mammalia (#40674)
Chromatographic methods for the analyses of 2-halofatty aldehydes and chlorohydrin molecular species of lysophosphatidylcholine.,
J Chromatogr B Analyt Technol Biomed Life Sci, 2009
Pubmed ID: 19091635

String Representations

InChiKey (Click to copy)
HMBUZXLDGPYXCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15-16H,2-14H2,1H3
SMILES (Click to copy)
C(C(I)CCCCCCCCCCCCCC)(=O)[H]

Other Databases

PubChem CID
3035587

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 316.79
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.37
Molar Refractivity 90.08

Admin

Created at
26th Apr 2021
Updated at
26th Apr 2021