Structure Database (LMSD)

Common Name
Prostanoic acid skeleton
Systematic Name
Synonyms
  • Prostanic acid skeleton
LM ID
LMFA03010000
Formula
C20H38O2
Exact Mass
Calculate m/z
310.28718
Sum Composition
FA 20:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
WGJJROVFWIXTPA-OALUTQOASA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1
SMILES (Click to copy)
[C@H]1(CCCCCCCC)CCC[C@@H]1CCCCCCC(=O)O

Other Databases

KEGG ID
C02064
CHEBI ID
8504
PubChem CID
439642

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 357.14
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.58
Molar Refractivity 94.16

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Created at
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Updated at
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