In-Silico Structure Database (LMISSD)
Common Name
PS(39:0/18:1(9E))
Systematic Name
1-nonatriacontanoyl-2-(9E-octadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019FJY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1083.880637
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
FLGZMTPUOUYBFL-NGAZVWTBSA-N
InChi (Click to copy)
InChI=1S/C63H122NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-61(65)71-56-59(57-72-75(69,70)73-58-60(64)63(67)68)74-62(66)55-53-51-49-47-45-43-40-18-16-14-12-10-8-6-4-2/h18,40,59-60H,3-17,19-39,41-58,64H2,1-2H3,(H,67,68)(H,69,70)/b40-18+/t59-,60+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O