Structure database (LMSD)

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LM IDLMFA03030000
Common NameThromboxanoic acid skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassThromboxanes [FA0303]
PubChem CID73946265
InChIKeyIHBMLJMSJCVQNY-FTEYMNFISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H36O4/c1-2-3-4-5-6-10-13-17-16(18-15-20(23-17)24-18)12-9-7-8-11-14-19(21)22/h16-18,20H,2-15H2,1H3,(H,21,22)/t16-,17-,18+,20-/m1/s1
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SMILES
C1[C@@H]2O[C@H]1O[C@H](CCCCCCCC)[C@H]2CCCCCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings3Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
358.56Topological Polar
Surface Area
59.90Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP6.15Molar
Refractivity
96.51