In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AEX |
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Common Name | Cer(t15:0/20:5(5Z,8Z,11Z,14Z,17Z)) |
Systematic Name | N-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-4R-hydroxypentadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C35H61NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | GCAUIWXRHLOKSD-HWIBOIJLSA-N |
InChI | InChI=1S/C35H61NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(39)36 -32(31-37)35(40)33(38)29-27-25-23-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22,24, 32-33,35,37-38,40H,3-4,6,8-10,12,14,17,20-21,23,25-31H2,1-2H3,(H,36,39)/b7-5-,13 -11-,16-15-,19-18-,24-22-/t32-,33+,35-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)[C@]([H])(O)[C@H](O)CCCCC CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |