Structure database (LMSD)

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LM IDLMFA03060014
Common Name15S-HpETE
Systematic Name15S-hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
Synonyms15-HpETE
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDBANK IDXPR6003
PubChem CID5280893
KEGG IDC05966
HMDB IDHMDB0004244
CHEBI ID15628
SWISSLIPIDS IDSLM:000389762
InChIKeyBFWYTORDSFIVKP-VAEKSGALSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)2
2/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9
-,17-14+/t19-/m0/s1
SMILESC(/C=C\C/C=C\CCCC(=O)O)/C=C\C=C\[C@@H](OO)CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
376.52Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.14Molar
Refractivity
99.30