In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019APR |
---|---|
Common Name | Cer(d15:1(8E)/18:2(9E,12E)) |
Systematic Name | N-(9E,12E-octadecadienoyl)-8E-pentadecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C33H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | AFRAJVFGUMSPCU-ZISWXPPKSA-N |
InChI | InChI=1S/C33H61NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(37)34-31(30 -35)32(36)28-26-24-22-20-14-12-10-8-6-4-2/h11,13-14,16-17,20,31-32,35-36H,3-10,1 2,15,18-19,21-30H2,1-2H3,(H,34,37)/b13-11+,17-16+,20-14+/t31-,32+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C/C/C=C/CCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |