Met002698: PE(18:2(9Z,12Z)/0:0)
Metabolite Information
Name
PE(18:2(9Z,12Z)/0:0)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular Formula
C23H44NO7P
Molecular Weight
477.6
Exact Mass
477.2855397
SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
InChIKey
DBHKHNGBVGWQJE-USWSLJGRSA-N
InChI
InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Glycerophospholipids
Subclass:
Glycerophosphoethanolamines
Crops containing this metabolite
adzuki_bean
asparagus
avocado
banana
blueberry
broad_bean
broccoli
cabbage
carrot
cauliflower
chestnut
chickpea
citrus
cowpea
cucumber
eggplant
fig
garlic
ginger
grape
kidney_bean
kiwifruit
lemon
lentil
lettuce
loquat
mango
mung_bean
muskmelon
okra
onion
parsley
pea
peach
peanut
pear
perilla
pineapple
potato
spinach
taro
tomato
turnip
watermelon
yam
asparagus
avocado
banana
blueberry
broad_bean
broccoli
cabbage
carrot
cauliflower
chestnut
chickpea
citrus
cowpea
cucumber
eggplant
fig
garlic
ginger
grape
kidney_bean
kiwifruit
lemon
lentil
lettuce
loquat
mango
mung_bean
muskmelon
okra
onion
parsley
pea
peach
peanut
pear
perilla
pineapple
potato
spinach
taro
tomato
turnip
watermelon
yam
Metabolite Spectrum Accession Label
ADZ00129p
ADZ00381n
ADZ00655n
ASP00093n
ASP00243p
ASP00397n
AVO00882n
BAN00604n
BAN00629p
BAN00715n
BLU00351n
BLU00387n
BROB00233n
BROB00265p
BROB00531p
BROB00731n
BROC00090p
BROC00100p
BROC00604n
BROC00837n
CAB00069n
CAB00089n
CAB00138p
CAR00004n
CAR00041p
CAR00430n
CAU00416n
CAU00441p
CAU00457p
CAU00476n
CHE00229n
CHE00734n
CHI00641n
CHI00776p
CIT00150n
CIT00553n
CIT00642p
CIT00688p
COW00145n
COW00174p
COW00383p
COW00682n
CUC00212p
CUC00230n
CUC00405n
EGG00226n
EGG00670n
FIG00049n
FIG00059n
FIG00078p
GAR00004n
GAR00017n
GAR00265p
GAR00329p
GIN00276n
GIN00396n
GRA00239n
GRA00323p
KID00173p
KID00389n
KID00482n
KID00720p
KIW00273p
KIW00509n
KIW00514n
LEM00109p
LEM00399p
LEM00572n
LEM00901n
LEN00015p
LEN00150p
LEN00256p
LEN00351n
LEN00794n
LET00057p
LET00380n
LET00503p
LOQ00059p
LOQ00199n
LOQ00300p
LOQ00429n
MAN00063n
MAN00206n
MUN00619p
MUN00690n
MUN00731n
MUS00103n
MUS00280n
MUS00379p
OKR00132n
OKR00351n
OKR00718p
OKR00858p
ONI00124p
ONI00269n
ONI00283n
PAR00765n
PAR00791p
PAR00926p
PAR01209n
PEACH00062p
PEACH00280n
PEA00192p
PEA00322n
PEA00573n
PEAN00483n
PEAN00806p
PEAN00903n
PEAR00066n
PEAR00214n
PER00877n
PER01641n
PIN00424n
PIN00644n
POT00013p
POT00177n
POT00363n
POT00464p
SPI00304n
SPI00623p
SPI00647p
SPI00766n
TAR00139p
TAR00204p
TAR00234p
TOM00035n
TOM00085p
TOM00372p
TOM00736n
TUR00002n
TUR00004n
TUR00440p
WAT00194n
WAT00272n
WAT00303p
YAM00110n
YAM00179n
YAM00205p
YAM00217p
ADZ00381n
ADZ00655n
ASP00093n
ASP00243p
ASP00397n
AVO00882n
BAN00604n
BAN00629p
BAN00715n
BLU00351n
BLU00387n
BROB00233n
BROB00265p
BROB00531p
BROB00731n
BROC00090p
BROC00100p
BROC00604n
BROC00837n
CAB00069n
CAB00089n
CAB00138p
CAR00004n
CAR00041p
CAR00430n
CAU00416n
CAU00441p
CAU00457p
CAU00476n
CHE00229n
CHE00734n
CHI00641n
CHI00776p
CIT00150n
CIT00553n
CIT00642p
CIT00688p
COW00145n
COW00174p
COW00383p
COW00682n
CUC00212p
CUC00230n
CUC00405n
EGG00226n
EGG00670n
FIG00049n
FIG00059n
FIG00078p
GAR00004n
GAR00017n
GAR00265p
GAR00329p
GIN00276n
GIN00396n
GRA00239n
GRA00323p
KID00173p
KID00389n
KID00482n
KID00720p
KIW00273p
KIW00509n
KIW00514n
LEM00109p
LEM00399p
LEM00572n
LEM00901n
LEN00015p
LEN00150p
LEN00256p
LEN00351n
LEN00794n
LET00057p
LET00380n
LET00503p
LOQ00059p
LOQ00199n
LOQ00300p
LOQ00429n
MAN00063n
MAN00206n
MUN00619p
MUN00690n
MUN00731n
MUS00103n
MUS00280n
MUS00379p
OKR00132n
OKR00351n
OKR00718p
OKR00858p
ONI00124p
ONI00269n
ONI00283n
PAR00765n
PAR00791p
PAR00926p
PAR01209n
PEACH00062p
PEACH00280n
PEA00192p
PEA00322n
PEA00573n
PEAN00483n
PEAN00806p
PEAN00903n
PEAR00066n
PEAR00214n
PER00877n
PER01641n
PIN00424n
PIN00644n
POT00013p
POT00177n
POT00363n
POT00464p
SPI00304n
SPI00623p
SPI00647p
SPI00766n
TAR00139p
TAR00204p
TAR00234p
TOM00035n
TOM00085p
TOM00372p
TOM00736n
TUR00002n
TUR00004n
TUR00440p
WAT00194n
WAT00272n
WAT00303p
YAM00110n
YAM00179n
YAM00205p
YAM00217p