Structure database (LMSD)

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LM IDLMFA03030015
Common NameThromboxane
Systematic Name(2R,3S)-3-heptyl-2-octyloxane
Synonyms-
Exact Mass
296.3079 (neutral)    Calculate m/z:
FormulaC20H40O
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassThromboxanes [FA0303]
Alternative ClassesCarbocyclic fatty acids[FA0114]
PubChem CID114873
KEGG IDC02198
HMDB IDHMDB0003208
CHEBI ID1221363
InChIKeyRZWIIPASKMUIAC-VQTJNVASSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H40O/c1-3-5-7-9-11-13-17-20-19(16-14-18-21-20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m0/s1
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SMILES
O1CCC[C@@H]([C@H]1CCCCCCCC)CCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
350.99Topological Polar
Surface Area
11.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP7.46Molar
Refractivity
94.84