Met002634: 5S-HETE-d8

  Metabolite Information

Name
5S-HETE-d8
IUPAC Name
(5S,6E,8Z,11Z,14Z)-5,6,8,9,11,12,14,15-octadeuterio-5-hydroxyicosa-6,8,11,14-tetraenoic acid
Molecular Formula
C20H32O3
Molecular Weight
328.5
Exact Mass
328.2853589
SMILES
CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)O
InChIKey
KGIJOOYOSFUGPC-IWMWOOIASA-N
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1/i6D,7D,9D,10D,12D,13D,16D,19D
Other Databases Link
PubChem:5283153

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Lipids and lipid-like molecules
        Class: Fatty Acyls
            Subclass: Eicosanoids

  Crops containing this metabolite

bittermelon
cabbage
carrot
cauliflower
chestnut
cucumber
grape
lemon
loquat
mango
muskmelon
okra
papaya
peach
potato
tomato
watermelon

  Metabolite Spectrum Accession Label

BIT00062n
BIT00173n
BIT00286n
CAB00116n
CAB00379n
CAR00005n
CAR00124n
CAR00188n
CAR00360n
CAR00383n
CAU00347n
CHE00049n
CHE00399n
CUC00424n
GRA00148n
GRA00393n
GRA00413n
GRA00498n
LEM00011n
LEM00847n
LOQ00038n
LOQ00060n
LOQ00075n
LOQ00124n
LOQ00159n
LOQ00190n
LOQ00191n
LOQ00201n
LOQ00221n
LOQ00249n
LOQ00369n
LOQ00377n
LOQ00436n
MAN00131n
MAN00302n
MAN00314n
MAN00443n
MAN00519n
MAN00561n
MAN00571n
MUS00281n
OKR00623n
OKR00686n
OKR00848n
PAP00007n
PAP00020n
PAP00036n
PAP00047n
PAP00055n
PAP00073n
PAP00146n
PAP00250n
PAP00284n
PEACH00068n
PEACH00266n
PEACH00348n
PEACH00558n
POT00073n
POT00203n
POT00354n
POT00413n
POT00476n
TOM00367n
TOM00509n
TOM00594n
TOM00707n
WAT00139n
WAT00254n