Met005201: 13,14-dihydro-15-keto Prostaglandin E1-d4
Metabolite Information
Name
13,14-dihydro-15-keto Prostaglandin E1-d4
IUPAC Name
3,3,4,4-tetradeuterio-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid
Molecular Formula
C20H34O5
Molecular Weight
358.5
Exact Mass
358.2657312
SMILES
CCCCCC(=O)CCC1C(CC(=O)C1CCCCCCC(=O)O)O
InChIKey
CDUVSQMTLOYKTR-GBXRSTSUSA-N
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-17,19,23H,2-14H2,1H3,(H,24,25)/t16-,17-,19-/m1/s1/i5D2,8D2
Other Databases Link
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
asparagus
broccoli
cabbage
cauliflower
chestnut
cucumber
fig
garlic
grape
kiwifruit
lemon
lettuce
mango
muskmelon
okra
parsley
peach
pear
pineapple
spinach
turnip
watermelon
yam
broccoli
cabbage
cauliflower
chestnut
cucumber
fig
garlic
grape
kiwifruit
lemon
lettuce
mango
muskmelon
okra
parsley
peach
pear
pineapple
spinach
turnip
watermelon
yam
Metabolite Spectrum Accession Label
ASP00094n
ASP00441n
ASP00446n
ASP00585n
BROC00653n
CAB00010n
CAB00018n
CAB00230n
CAB00246n
CAB00247n
CAB00264n
CAB00271n
CAB00280n
CAB00309n
CAB00330n
CAB00393n
CAB00439n
CAB00478n
CAU00225n
CAU00446n
CHE00004n
CHE00043n
CHE00056n
CHE00107n
CHE00241n
CHE00254n
CHE00259n
CHE00469n
CHE00471n
CHE00473n
CUC00017n
CUC00210n
CUC00325n
FIG00034n
FIG00052n
FIG00124n
FIG00191n
FIG00270n
FIG00280n
FIG00292n
FIG00335n
FIG00370n
FIG00396n
FIG00487n
FIG00514n
FIG00516n
FIG00537n
GAR00062n
GAR00526n
GAR00586n
GRA00037n
GRA00075n
GRA00234n
GRA00267n
GRA00317n
GRA00421n
GRA00482n
GRA00557n
KIW00320n
LEM00281n
LEM00308n
LEM00309n
LEM00354n
LEM00377n
LEM00445n
LEM00498n
LEM00623n
LEM00651n
LEM00739n
LET00217n
LET00326n
MAN00086n
MAN00227n
MAN00492n
MAN00522n
MAN00573n
MAN00610n
MUS00021n
MUS00022n
MUS00061n
MUS00102n
MUS00125n
MUS00144n
MUS00154n
MUS00159n
MUS00195n
MUS00249n
OKR00098n
OKR00129n
OKR00198n
OKR00201n
OKR00333n
OKR00508n
OKR00534n
OKR00570n
OKR00628n
OKR00730n
PAR00626n
PEACH00173n
PEACH00216n
PEACH00501n
PEAR00036n
PEAR00045n
PEAR00068n
PEAR00092n
PEAR00239n
PEAR00286n
PEAR00313n
PIN00178n
PIN00237n
PIN00277n
PIN00314n
PIN00431n
SPI00089n
SPI00211n
TUR00013n
TUR00036n
TUR00173n
TUR00348n
TUR00363n
TUR00364n
TUR00472n
WAT00113n
WAT00135n
WAT00140n
WAT00211n
WAT00308n
WAT00368n
YAM00140n
ASP00441n
ASP00446n
ASP00585n
BROC00653n
CAB00010n
CAB00018n
CAB00230n
CAB00246n
CAB00247n
CAB00264n
CAB00271n
CAB00280n
CAB00309n
CAB00330n
CAB00393n
CAB00439n
CAB00478n
CAU00225n
CAU00446n
CHE00004n
CHE00043n
CHE00056n
CHE00107n
CHE00241n
CHE00254n
CHE00259n
CHE00469n
CHE00471n
CHE00473n
CUC00017n
CUC00210n
CUC00325n
FIG00034n
FIG00052n
FIG00124n
FIG00191n
FIG00270n
FIG00280n
FIG00292n
FIG00335n
FIG00370n
FIG00396n
FIG00487n
FIG00514n
FIG00516n
FIG00537n
GAR00062n
GAR00526n
GAR00586n
GRA00037n
GRA00075n
GRA00234n
GRA00267n
GRA00317n
GRA00421n
GRA00482n
GRA00557n
KIW00320n
LEM00281n
LEM00308n
LEM00309n
LEM00354n
LEM00377n
LEM00445n
LEM00498n
LEM00623n
LEM00651n
LEM00739n
LET00217n
LET00326n
MAN00086n
MAN00227n
MAN00492n
MAN00522n
MAN00573n
MAN00610n
MUS00021n
MUS00022n
MUS00061n
MUS00102n
MUS00125n
MUS00144n
MUS00154n
MUS00159n
MUS00195n
MUS00249n
OKR00098n
OKR00129n
OKR00198n
OKR00201n
OKR00333n
OKR00508n
OKR00534n
OKR00570n
OKR00628n
OKR00730n
PAR00626n
PEACH00173n
PEACH00216n
PEACH00501n
PEAR00036n
PEAR00045n
PEAR00068n
PEAR00092n
PEAR00239n
PEAR00286n
PEAR00313n
PIN00178n
PIN00237n
PIN00277n
PIN00314n
PIN00431n
SPI00089n
SPI00211n
TUR00013n
TUR00036n
TUR00173n
TUR00348n
TUR00363n
TUR00364n
TUR00472n
WAT00113n
WAT00135n
WAT00140n
WAT00211n
WAT00308n
WAT00368n
YAM00140n