Structure Database (LMSD)

Common Name
5Z,9Z,25Z-triacontatrienoic acid
Systematic Name
5Z,9Z,25Z-triacontatrienoic acid
Synonyms
LM ID
LMFA01031126
Formula
C30H54O2
Exact Mass
Calculate m/z
446.41238
Sum Composition
FA 30:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Trikentrion (#484443)
Demospongiae (#6042)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

String Representations

InChiKey (Click to copy)
HGMWSICOJSCIMV-POJZFQNESA-N
InChi (Click to copy)
InChI=1S/C30H54O2/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)32/h5-6,21-22,25-26H,2-4,7-20,23-24,27-29H2,1H3,(H,31,32)/b6-5-,22-21-,26-25-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCCCCCC/C=C\CCCC)(=O)O

Other Databases

PubChem CID
21774064

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 534.58
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.34
Molar Refractivity 142.3

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Created at
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Updated at
25th Apr 2022