In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019BTT |
---|---|
Common Name | Cer(d19:1(4E)/18:0) |
Systematic Name | N-(octadecanoyl)-4E-nonadecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C37H73NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | SYNRTDHNHQROOQ-RQDJVNCUSA-N |
InChI | InChI=1S/C37H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)38-35(34 -39)36(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30,32,35-36,39-40H,3-29,3 1,33-34H2,1-2H3,(H,38,41)/b32-30+/t35-,36+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |