Structure database (LMSD)

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LM IDLMFA01050143
Common NameTetranor-12R-HETE
Systematic Name8R-hydroxy-4Z,6E,10Z-hexadecatrienoic acid
Synonyms-
Exact Mass
266.1882 (neutral)    Calculate m/z:
FormulaC16H26O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 16:3;O
LIPIDBANK IDDFA8137
PubChem CID5282970
CHEBI ID72605
CAYMAN ID34565
InChIKeyKBOVKDIBOBQLRS-QCNAHCIUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/b8-7-,9-6-,13-10+/t15-/m1/s1
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SMILES
C(=C/C=C/[C@H](O)C/C=C\CCCCC)/CCC(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
301.17Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.14Molar
Refractivity
79.57