Met009211: PC(18:3(6Z,9Z,12Z)/0:0)

  Metabolite Information

Name
PC(18:3(6Z,9Z,12Z)/0:0)
IUPAC Name
[(2R)-2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula
C26H48NO7P
Molecular Weight
517.6
Exact Mass
517.3168399
SMILES
CCCCCC=CCC=CCC=CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChIKey
MRTUWVDDQVMUCR-ACHCNROVSA-N
InChI
InChI=1S/C26H48NO7P/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/h9-10,12-13,15-16,25,28H,5-8,11,14,17-24H2,1-4H3/b10-9-,13-12-,16-15-/t25-/m1/s1
Other Databases Link
PubChem:52924045

  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
banana
bittermelon
broad_bean
broccoli
carrot
chickpea
cowpea
cucumber
eggplant
fig
grape
kidney_bean
kiwifruit
lemon
lentil
lettuce
mango
mung_bean
okra
papaya
parsley
pea
peach
perilla
potato
spinach
tomato
watermelon

  Metabolite Spectrum Accession Label

ADZ00307p
ADZ00308p
ADZ00465p
BAN00016p
BAN00437p
BIT00525p
BROB00189p
BROC00073p
BROC00782p
CAR00159p
CHI00051p
COW00106p
COW00196p
CUC00036p
CUC00090p
EGG00330p
EGG00335p
FIG00287p
GRA00118p
KID00035p
KID00258p
KIW00633p
LEM00447p
LEM00708p
LEN00276p
LET00513p
MAN00247p
MAN00396p
MUN00519p
MUN00581p
OKR00766p
PAP00044p
PAR00551p
PEACH00265p
PEACH00474p
PEA00397p
PER01071p
POT00508p
POT00521p
SPI00499p
SPI00565p
TOM00232p
TOM00499p
WAT00313p