Met002477: PE(16:0/0:0)
Metabolite Information
Name
PE(16:0/0:0)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate
Molecular Formula
C21H44NO7P
Molecular Weight
453.5
Exact Mass
453.2855397
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
InChIKey
YVYMBNSKXOXSKW-HXUWFJFHSA-N
InChI
InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/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
bittermelon
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
papaya
parsley
pea
peach
peanut
perilla
pineapple
potato
spinach
taro
tomato
turnip
watermelon
yam
asparagus
avocado
banana
bittermelon
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
papaya
parsley
pea
peach
peanut
perilla
pineapple
potato
spinach
taro
tomato
turnip
watermelon
yam
Metabolite Spectrum Accession Label
ADZ00107p
ADZ00473n
ASP00105p
ASP00128n
AVO00238p
AVO00655n
AVO01166n
BAN00204p
BAN00432n
BIT00234n
BLU00441n
BROB00453p
BROB00542n
BROB00745n
BROC00108p
BROC00752n
CAB00259n
CAB00297n
CAR00309n
CAR00369p
CAU00178n
CAU00427n
CAU00535p
CHE00039p
CHE00436n
CHI00686n
CHI00737p
CIT00269n
CIT00373p
COW00003p
COW00028n
COW00171p
COW00694n
CUC00148n
CUC00270p
EGG00370n
EGG00713n
EGG00739p
FIG00301n
GAR00267n
GAR00455p
GIN00810n
GRA00151p
KID00180p
KID00388n
KID00412n
KID00724p
KID00818p
KIW00213n
KIW00272p
LEM00451n
LEM00678p
LEN00638n
LET00222n
LET00385p
LOQ00036p
LOQ00125n
MAN00192n
MAN00604n
MUN00244n
MUN00418n
MUN00752p
MUS00096n
OKR00403p
OKR00428n
ONI00174n
PAP00095p
PAP00309n
PAR00882n
PAR01059p
PEACH00035n
PEACH00163p
PEA00130n
PEA00470n
PEA00508p
PEAN00389p
PEAN00874n
PER01226n
PER01618p
PIN00450n
POT00072p
POT00191n
SPI00005p
SPI00285n
TAR00270p
TOM00693n
TUR00096n
WAT00100p
WAT00315n
YAM00336n
ADZ00473n
ASP00105p
ASP00128n
AVO00238p
AVO00655n
AVO01166n
BAN00204p
BAN00432n
BIT00234n
BLU00441n
BROB00453p
BROB00542n
BROB00745n
BROC00108p
BROC00752n
CAB00259n
CAB00297n
CAR00309n
CAR00369p
CAU00178n
CAU00427n
CAU00535p
CHE00039p
CHE00436n
CHI00686n
CHI00737p
CIT00269n
CIT00373p
COW00003p
COW00028n
COW00171p
COW00694n
CUC00148n
CUC00270p
EGG00370n
EGG00713n
EGG00739p
FIG00301n
GAR00267n
GAR00455p
GIN00810n
GRA00151p
KID00180p
KID00388n
KID00412n
KID00724p
KID00818p
KIW00213n
KIW00272p
LEM00451n
LEM00678p
LEN00638n
LET00222n
LET00385p
LOQ00036p
LOQ00125n
MAN00192n
MAN00604n
MUN00244n
MUN00418n
MUN00752p
MUS00096n
OKR00403p
OKR00428n
ONI00174n
PAP00095p
PAP00309n
PAR00882n
PAR01059p
PEACH00035n
PEACH00163p
PEA00130n
PEA00470n
PEA00508p
PEAN00389p
PEAN00874n
PER01226n
PER01618p
PIN00450n
POT00072p
POT00191n
SPI00005p
SPI00285n
TAR00270p
TOM00693n
TUR00096n
WAT00100p
WAT00315n
YAM00336n