In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039AB0 |
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Common Name | PI-Cer(d14:0/20:4(7E,10E,13E,16E)) |
Systematic Name | N-(7E,10E,13E,16E-eicosatetraenoyl)-tetradecasphinganine-1-phospho-(1'-myo- inositol) |
Synonyms | - |
Exact Mass | |
Formula | C40H72NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | ZJILUPFXVOXDMN-TXMVCFIBSA-N |
InChI | InChI=1S/C40H72NO11P/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/h7,9,13-14,16-17,19-20,32-33,35-40,42,44-48H,3-6,8,10-12,15,18,21 -31H2,1-2H3,(H,41,43)(H,49,50)/b9-7+,14-13+,17-16+,20-19+/t32-,33+,35?,36+,37?,3 8?,39?,40+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCC/C=C/C/C=C/C/C=C/C/ C=C/CCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |