In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(4E)/27:0)
Systematic Name
N-(heptacosanoyl)-4E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AFP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
877.640802
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
YMLNXCJBADDXID-CNZNLDAJSA-N
InChi (Click to copy)
InChI=1S/C47H92NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-41(50)48-39(40(49)36-34-32-30-28-12-10-8-6-4-2)38-58-60(56,57)59-47-45(54)43(52)42(51)44(53)46(47)55/h34,36,39-40,42-47,49,51-55H,3-33,35,37-38H2,1-2H3,(H,48,50)(H,56,57)/b36-34+/t39-,40+,42?,43+,44?,45?,46?,47+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC