Structure Database (LMSD)

O OH
Common Name
17Z-eicosenoic acid
Systematic Name
17Z-eicosenoic acid
Synonyms
  • C20:1n-3
LM ID
LMFA01030082
Formula
Exact Mass
Calculate m/z
310.28718
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
ZOKDQRULUYMUFA-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4H,2,5-19H2,1H3,(H,21,22)/b4-3-
SMILES (Click to copy)
C(CCCCCC/C=C\CC)CCCCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome.,
Nat Commun, 2023
Pubmed ID: 37402773

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0121
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.89
Molar Refractivity 96.32

Reactions

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Admin

Created at
-
Updated at
20th Jul 2023