Structure Database (LMSD)

Common Name
2-bromopalmitaldehyde
Systematic Name
2-bromo-hexadecanal
Synonyms
LM ID
LMFA06000115
Formula
C16H31OBr
Exact Mass
Calculate m/z
318.155825
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
Homo sapiens (#9606)
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)
UNCLDPYYBFIMJH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31BrO/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(Br)CCCCCCCCCCCCCC)(=O)[H]

Other Databases

CHEBI ID
186562
PubChem CID
15701742

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 310.79
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.33
Molar Refractivity 84.99

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Created at
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Updated at
8th Apr 2021