Structure Database (LMSD)

Common Name
19-methyl-7Z-eicosenoic acid
Systematic Name
19-methyl-7Z-eicosenoic acid
Synonyms
  • delta7-i-21:1
LM ID
LMFA01031166
Formula
Exact Mass
Calculate m/z
324.30283
Sum Composition
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bathysiphon (#212484)
New and Uncommon Fatty Acids in Lipids of Deep-Sea Foraminifera.,
Lipids, 2017
Pubmed ID: 28210982

String Representations

InChiKey (Click to copy)
WWLXQPINWFUSJJ-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C21H40O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h7,9,20H,3-6,8,10-19H2,1-2H3,(H,22,23)/b9-7-
SMILES (Click to copy)
C(CCCCC/C=C\CCCCCCCCCCC(C)C)(=O)O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 384.16
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.13
Molar Refractivity 100.87

Admin

Created at
22nd Oct 2019
Updated at
22nd Oct 2019