Met006454: LysoPE(0:0/18:3(9Z,12Z,15Z))
Metabolite Information
Name
LysoPE(0:0/18:3(9Z,12Z,15Z))
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Molecular Formula
C23H42NO7P
Molecular Weight
475.6
Exact Mass
475.2698897
SMILES
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN
InChIKey
JGWWMNVPHKMUCV-WOBXFXBNSA-N
InChI
InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,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
bittermelon
broad_bean
broccoli
cabbage
cauliflower
chestnut
chickpea
citrus
cowpea
cucumber
eggplant
fig
garlic
grape
kidney_bean
kiwifruit
lemon
lentil
lettuce
mango
mung_bean
okra
papaya
parsley
pea
peach
perilla
pineapple
potato
spinach
tomato
turnip
watermelon
asparagus
avocado
banana
bittermelon
broad_bean
broccoli
cabbage
cauliflower
chestnut
chickpea
citrus
cowpea
cucumber
eggplant
fig
garlic
grape
kidney_bean
kiwifruit
lemon
lentil
lettuce
mango
mung_bean
okra
papaya
parsley
pea
peach
perilla
pineapple
potato
spinach
tomato
turnip
watermelon
Metabolite Spectrum Accession Label
ADZ00059n
ADZ00261n
ADZ00614n
ADZ00661p
ASP00553n
AVO01177n
BAN00068p
BAN00194n
BAN00297n
BAN00464p
BAN00564p
BIT00217p
BROB00198n
BROC00019n
BROC00228p
BROC00530n
BROC00800p
CAB00124n
CAB00205p
CAB00282n
CAB00406p
CAU00034n
CAU00087n
CAU00488p
CAU00545p
CHE00124p
CHE00617n
CHE00662n
CHI00240n
CHI00457n
CIT00313n
CIT00382p
CIT00645p
CIT00829n
COW00344p
COW00490n
COW00617p
COW00766n
CUC00069n
CUC00096n
CUC00232p
CUC00396p
EGG00231p
EGG00367p
EGG00489p
EGG00517n
EGG00726n
FIG00368n
FIG00569n
GAR00102p
GRA00444n
KID00159p
KID00298n
KID00660n
KIW00002p
KIW00278p
KIW00343n
KIW00373n
LEM00315n
LEM00317n
LEN00018n
LEN00058n
LEN00311p
LEN00460p
LEN00854p
LEN00868n
LET00200p
LET00264n
LET00388p
LET00528n
MAN00050p
MAN00332n
MAN00343p
MAN00520n
MUN00004p
MUN00372p
MUN00415n
MUN00578n
MUN00617n
OKR00390p
OKR00715n
PAP00296n
PAR00850n
PAR00931n
PEACH00014n
PEACH00236n
PEA00091p
PEA00145n
PEA00260n
PEA00412p
PER00910n
PER01372n
PIN00013n
PIN00339n
POT00083n
SPI00102n
SPI00213n
SPI00978p
TOM00054n
TOM00539p
TOM00671n
TUR00065p
TUR00272n
TUR00306p
TUR00375n
WAT00248n
WAT00312p
WAT00425n
ADZ00261n
ADZ00614n
ADZ00661p
ASP00553n
AVO01177n
BAN00068p
BAN00194n
BAN00297n
BAN00464p
BAN00564p
BIT00217p
BROB00198n
BROC00019n
BROC00228p
BROC00530n
BROC00800p
CAB00124n
CAB00205p
CAB00282n
CAB00406p
CAU00034n
CAU00087n
CAU00488p
CAU00545p
CHE00124p
CHE00617n
CHE00662n
CHI00240n
CHI00457n
CIT00313n
CIT00382p
CIT00645p
CIT00829n
COW00344p
COW00490n
COW00617p
COW00766n
CUC00069n
CUC00096n
CUC00232p
CUC00396p
EGG00231p
EGG00367p
EGG00489p
EGG00517n
EGG00726n
FIG00368n
FIG00569n
GAR00102p
GRA00444n
KID00159p
KID00298n
KID00660n
KIW00002p
KIW00278p
KIW00343n
KIW00373n
LEM00315n
LEM00317n
LEN00018n
LEN00058n
LEN00311p
LEN00460p
LEN00854p
LEN00868n
LET00200p
LET00264n
LET00388p
LET00528n
MAN00050p
MAN00332n
MAN00343p
MAN00520n
MUN00004p
MUN00372p
MUN00415n
MUN00578n
MUN00617n
OKR00390p
OKR00715n
PAP00296n
PAR00850n
PAR00931n
PEACH00014n
PEACH00236n
PEA00091p
PEA00145n
PEA00260n
PEA00412p
PER00910n
PER01372n
PIN00013n
PIN00339n
POT00083n
SPI00102n
SPI00213n
SPI00978p
TOM00054n
TOM00539p
TOM00671n
TUR00065p
TUR00272n
TUR00306p
TUR00375n
WAT00248n
WAT00312p
WAT00425n