In-Silico Structure Database (LMISSD)
Common Name
PS(28:0/16:1(7Z))
Systematic Name
1-octacosanoyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019ET8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
901.677187
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
SMGYLFVKWVLZOH-YBLLVHPKSA-N
InChi (Click to copy)
InChI=1S/C50H96NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h29,32,46-47H,3-28,30-31,33-45,51H2,1-2H3,(H,54,55)(H,56,57)/b32-29-/t46-,47+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O