Met000602: PC(18:2(2E,4E)/0:0)
Metabolite Information
Name
PC(18:2(2E,4E)/0:0)
IUPAC Name
[(2R)-2-hydroxy-3-[(2E,4E)-octadeca-2,4-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula
C26H50NO7P
Molecular Weight
519.7
Exact Mass
519.3324899
SMILES
CCCCCCCCCCCCCC=CC=CC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChIKey
CLDXAAPENVNFAW-JRMAHNDFSA-N
InChI
InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h17-20,25,28H,5-16,21-24H2,1-4H3/b18-17+,20-19+/t25-/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:
Glycerophosphocholines
Crops containing this metabolite
adzuki_bean
asparagus
avocado
banana
broad_bean
broccoli
cabbage
carrot
cauliflower
chestnut
chickpea
citrus
cowpea
cucumber
eggplant
kidney_bean
lemon
lentil
mung_bean
muskmelon
okra
parsley
pea
peach
peanut
pear
perilla
potato
spinach
tomato
watermelon
yam
asparagus
avocado
banana
broad_bean
broccoli
cabbage
carrot
cauliflower
chestnut
chickpea
citrus
cowpea
cucumber
eggplant
kidney_bean
lemon
lentil
mung_bean
muskmelon
okra
parsley
pea
peach
peanut
pear
perilla
potato
spinach
tomato
watermelon
yam
Metabolite Spectrum Accession Label
ADZ00717p
ASP00051p
ASP00540p
AVO00552p
BAN00124p
BAN00549p
BROB00284p
BROB00479p
BROC00007p
CAB00169p
CAR00128p
CAR00382p
CAU00232p
CAU00537p
CHE00712p
CHI00774p
CIT00088p
CIT00243p
COW00268p
COW00512p
CUC00269p
EGG00514p
KID00651p
KID00828p
LEM00799p
LEN00207p
LEN00342p
LEN00767p
LEN00776p
LEN00820p
MUN00055p
MUN00130p
MUN00297p
MUN00440p
MUN00524p
MUS00069p
OKR00614p
PAR00885p
PEACH00311p
PEA00093p
PEA00194p
PEA00267p
PEA00281p
PEAN00265p
PEAN00722p
PEAR00323p
PER00815p
PER01525p
POT00226p
POT00231p
SPI00411p
TOM00365p
TOM00501p
WAT00142p
YAM00049p
YAM00399p
ASP00051p
ASP00540p
AVO00552p
BAN00124p
BAN00549p
BROB00284p
BROB00479p
BROC00007p
CAB00169p
CAR00128p
CAR00382p
CAU00232p
CAU00537p
CHE00712p
CHI00774p
CIT00088p
CIT00243p
COW00268p
COW00512p
CUC00269p
EGG00514p
KID00651p
KID00828p
LEM00799p
LEN00207p
LEN00342p
LEN00767p
LEN00776p
LEN00820p
MUN00055p
MUN00130p
MUN00297p
MUN00440p
MUN00524p
MUS00069p
OKR00614p
PAR00885p
PEACH00311p
PEA00093p
PEA00194p
PEA00267p
PEA00281p
PEAN00265p
PEAN00722p
PEAR00323p
PER00815p
PER01525p
POT00226p
POT00231p
SPI00411p
TOM00365p
TOM00501p
WAT00142p
YAM00049p
YAM00399p