Structure database (LMSD)

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LM IDLMFA03060110
Common Name10S-Hydroxy-arachidonic acid
Systematic Name10S-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms-
Exact Mass
320.2351 (neutral)    Calculate m/z:
FormulaC20H32O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:4;O
PubChem CID10829545
InChIKeyZUOCVLADVGGUGH-LWZFADKSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b7-6-,9-8-,16-13-,17-14-/t19-/m0/s1
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SMILES
C(CCC/C=C\C/C=C\[C@@H](O)/C=C\C/C=C\CCCCC)(=O)O
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StatusActive
ReferencesS. F. Lie Ken Jie, Marcel and Khysar Pasha, Mohammed. Fatty acids, fatty acid analogues and their derivatives. Nat. Prod. Rep., 1998,15, 607-629
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
367.73Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.47Molar
Refractivity
97.94