In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039ABT |
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Common Name | PI-Cer(d14:0/20:3(5Z,8Z,11Z)) |
Systematic Name | N-(5Z,8Z,11Z-eicosatrienoyl)-tetradecasphinganine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C40H74NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | SETHXONKLSANSD-SJBUBUGISA-N |
InChI | InChI=1S/C40H74NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(43) 41-32(33(42)29-27-25-23-21-12-10-8-6-4-2)31-51-53(49,50)52-40-38(47)36(45)35(44) 37(46)39(40)48/h15-16,18-19,22,24,32-33,35-40,42,44-48H,3-14,17,20-21,23,25-31H2 ,1-2H3,(H,41,43)(H,49,50)/b16-15-,19-18-,24-22-/t32-,33+,35?,36+,37?,38?,39?,40+ /m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCC/C=C\C/C=C\C/C=C\CCCC CCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |