In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019ABB |
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Common Name | Cer(d14:1(4E)/18:2(9E,12E)) |
Systematic Name | N-(9E,12E-octadecadienoyl)-4E-tetradecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C32H59NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | IRRIKWAQUIIOOE-OJIVUNBDSA-N |
InChI | InChI=1S/C32H59NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29 -34)31(35)27-25-23-21-19-12-10-8-6-4-2/h11,13,15-16,25,27,30-31,34-35H,3-10,12,1 4,17-24,26,28-29H2,1-2H3,(H,33,36)/b13-11+,16-15+,27-25+/t30-,31+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C/C/C=C/CCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |