Structure Database (LMSD)

Common Name
14-methyl-6Z-pentadecenoic acid
Systematic Name
14-methyl-6Z-pentadecenoic acid
Synonyms
LM ID
LMFA01020440
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
FA 16:1
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micrococcus sp. (#1271)
Actinomycetes (#1760)
Two novel iso-branched octadecenoic acids from a Micrococcus species.,
J Nat Prod, 2000
Pubmed ID: 11087614

String Representations

InChiKey (Click to copy)
PLEXOMFVUZNSTQ-XQRVVYSFSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h4,6,15H,3,5,7-14H2,1-2H3,(H,17,18)/b6-4-
SMILES (Click to copy)
C(CCCC/C=C\CCCCCCC(C)C)(=O)O

Other Databases

PubChem CID
11780072

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.18
Molar Refractivity 77.78

Admin

Created at
21st Jun 2020
Updated at
21st Jun 2020