In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:1(9Z)/26:2(5Z,9E))
Systematic Name
1-(9Z-octadecenyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029ASB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
883.666622
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
DTCRQJMJPWCMGV-XWPHDHQESA-N
InChi (Click to copy)
InChI=1S/C50H94NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-49(52)60-47(45-58-61(55,56)59-46-48(51)50(53)54)44-57-43-41-39-37-35-33-31-29-20-18-16-14-12-10-8-6-4-2/h18,20,27-28,34,36,47-48H,3-17,19,21-26,29-33,35,37-46,51H2,1-2H3,(H,53,54)(H,55,56)/b20-18-,28-27+,36-34-/t47-,48+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC)(=O)O