Structure Database (LMSD)

Common Name
3S,7,11-Trimethyl-6,10-dodecadienoic acid
Systematic Name
3S,7,11-Trimethyl-6,10-dodecadienoic acid
Synonyms
LM ID
LMFA01030790
Formula
C15H26O2
Exact Mass
Calculate m/z
238.19328
Sum Composition
FA 15:2
Status
Curated
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
HDAQPCUHLCPEHS-SSUFTNFISA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,14H,5-6,8,10-11H2,1-4H3,(H,16,17)/b13-9+/t14-/m0/s1
SMILES (Click to copy)
C(C[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/C)(=O)O

Other Databases

PubChem CID
44256497

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 277.72
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.57
Molar Refractivity 73.07

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Created at
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Updated at
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