Met004424: PI(18:3(6Z,9Z,12Z)/0:0)
Metabolite Information
Name
PI(18:3(6Z,9Z,12Z)/0:0)
IUPAC Name
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Molecular Formula
C27H47O12P
Molecular Weight
594.6
Exact Mass
594.2805139
SMILES
CCCCCC=CCC=CCC=CCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)O
InChIKey
LLHYFNVRZDNGJG-OLRRTEFJSA-N
InChI
InChI=1S/C27H47O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,12-13,20,22-28,30-34H,2-5,8,11,14-19H2,1H3,(H,35,36)/b7-6-,10-9-,13-12-/t20-,22?,23-,24?,25?,26?,27?/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:
Glycerophosphoinositols
Crops containing this metabolite
adzuki_bean
banana
chickpea
citrus
cowpea
eggplant
kidney_bean
lentil
mung_bean
pea
banana
chickpea
citrus
cowpea
eggplant
kidney_bean
lentil
mung_bean
pea
Metabolite Spectrum Accession Label
ADZ00013p
ADZ00045n
ADZ00656n
ADZ00759p
ADZ00776p
BAN00318p
BAN00691n
CHI00453n
CHI00528n
CHI00745p
CIT00546n
COW00093p
COW00198n
COW00590n
COW00669p
COW00721p
EGG00004p
EGG00137n
EGG00624n
KID00013p
KID00254n
KID00276p
KID00493p
KID00609n
LEN00116p
LEN00710n
LEN00732p
LEN00838n
MUN00386n
MUN00473p
MUN00585p
MUN00715n
MUN00750p
PEA00462n
PEA00533n
ADZ00045n
ADZ00656n
ADZ00759p
ADZ00776p
BAN00318p
BAN00691n
CHI00453n
CHI00528n
CHI00745p
CIT00546n
COW00093p
COW00198n
COW00590n
COW00669p
COW00721p
EGG00004p
EGG00137n
EGG00624n
KID00013p
KID00254n
KID00276p
KID00493p
KID00609n
LEN00116p
LEN00710n
LEN00732p
LEN00838n
MUN00386n
MUN00473p
MUN00585p
MUN00715n
MUN00750p
PEA00462n
PEA00533n