Structure Database (LMSD)

Common Name
Triacontanal
Systematic Name
triacontanal
Synonyms
LM ID
LMFA06000262
Formula
C30H60O
Exact Mass
Calculate m/z
436.464416
Sum Composition
FAL 30:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

String Representations

InChiKey (Click to copy)
CGNVIRPGBUXJES-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h30H,2-29H2,1H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O

Other Databases

HMDB ID
HMDB0032868
CHEBI ID
84946
PubChem CID
3084375

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 533.71
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 11.13
Molar Refractivity 141.01

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Updated at
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