In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019AD9 |
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Common Name | Cer(d14:1(8E)/18:2(9Z,12Z)) |
Systematic Name | N-(9Z,12Z-octadecadienoyl)-8E-tetradecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C32H59NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | JJHFNGGHKQCRIK-ILTWBKPMSA-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/h11-13,15-16,19,30-31,34-35H,3-10,14,17-1 8,20-29H2,1-2H3,(H,33,36)/b13-11-,16-15-,19-12+/t30-,31+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |