In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:0/17:1(9Z))
Systematic Name
N-(9Z-heptadecenoyl)-tetradecasphinganine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AAU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
737.484302
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
SHHDCHNFBPFCQG-IHCMOGKJSA-N
InChi (Click to copy)
InChI=1S/C37H72NO11P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-31(40)38-29(30(39)26-24-22-20-18-12-10-8-6-4-2)28-48-50(46,47)49-37-35(44)33(42)32(41)34(43)36(37)45/h14-15,29-30,32-37,39,41-45H,3-13,16-28H2,1-2H3,(H,38,40)(H,46,47)/b15-14-/t29-,30+,32?,33+,34?,35?,36?,37+/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(CCCCCCC/C=C\CCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC