Met003673: PI(16:0/0:0)
Metabolite Information
Name
PI(16:0/0:0)
IUPAC Name
[(2R)-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Molecular Formula
C25H49O12P
Molecular Weight
572.6
Exact Mass
572.296164
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)O
InChIKey
UOXRPRZMAROFPH-IESLQMLBSA-N
InChI
InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20?,21-,22+,23-,24-,25?/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
cowpea
lentil
cowpea
lentil
Metabolite Spectrum Accession Label