Structure Database (LMSD)

Common Name
4R-methyl-7Z,11Z-heptadecadienoic acid
Systematic Name
4R-methyl-7Z,11Z-heptadecadienoic acid
Synonyms
LM ID
LMFA01020416
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

String Representations

InChiKey (Click to copy)
HNLWSHWQZXSOLR-SYMGANTGSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3,(H,19,20)/b8-7-,12-11-/t17-/m1/s1
SMILES (Click to copy)
C(CC[C@H](C)CC/C=C\CC/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
11055082

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.74
Molar Refractivity 86.92

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Updated at
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