In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019A9B |
---|---|
Common Name | Cer(d17:1(4E)/15:1(9Z)) |
Systematic Name | N-(9Z-pentadecenoyl)-4E-heptadecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C32H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | YUGFZPYBBVENHJ-QUBPXGJBSA-N |
InChI | InChI=1S/C32H61NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(35)30(29-34)33-32(36 )28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,25,27,30-31,34-35H,3-11,13,15-24,2 6,28-29H2,1-2H3,(H,33,36)/b14-12-,27-25+/t30-,31+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\CCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |