In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019BHT |
---|---|
Common Name | Cer(d18:1(4E)/13:0) |
Systematic Name | N-(tridecanoyl)-4E-sphingenine |
Synonyms | - |
Exact Mass | |
Formula | C31H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | KIMGMTPZLJJVTP-INXZUHKUSA-N |
InChI | InChI=1S/C31H61NO3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(34)29(28-33)32-31 (35)27-25-23-21-19-14-12-10-8-6-4-2/h24,26,29-30,33-34H,3-23,25,27-28H2,1-2H3,(H ,32,35)/b26-24+/t29-,30+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |