Met009811: PS(17:1(9Z)/0:0)
Metabolite Information
Name
PS(17:1(9Z)/0:0)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-[(Z)-heptadec-9-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Molecular Formula
C23H44NO9P
Molecular Weight
509.6
Exact Mass
509.275369
SMILES
CCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O
InChIKey
HMEVUVNQDXCEJS-JLHSHEGMSA-N
InChI
InChI=1S/C23H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)31-17-20(25)18-32-34(29,30)33-19-21(24)23(27)28/h8-9,20-21,25H,2-7,10-19,24H2,1H3,(H,27,28)(H,29,30)/b9-8-/t20-,21+/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:
Glycerophosphoserines
Crops containing this metabolite
eggplant
mung_bean
pea
mung_bean
pea
Metabolite Spectrum Accession Label