In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029ADE |
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Common Name | Cer(d15:0/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | N-(5Z,8Z,11Z,13E-eicosatetraenoyl)-pentadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C35H63NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | NKWMNUGBWINEHQ-QLIMRRDLSA-N |
InChI | InChI=1S/C35H63NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36 -33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h13,15-17,19-20,23,25,33-34,37-3 8H,3-12,14,18,21-22,24,26-32H2,1-2H3,(H,36,39)/b15-13+,17-16-,20-19-,25-23-/t33- ,34+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |