In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019BBO |
---|---|
Common Name | Cer(d17:1(4E)/34:0) |
Systematic Name | N-(tetratriacontanoyl)-4E-heptadecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C51H101NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | RCGAVOCFFHEHFA-XESLFECXSA-N |
InChI | InChI=1S/C51H101NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-3 0-31-32-33-34-35-37-39-41-43-45-47-51(55)52-49(48-53)50(54)46-44-42-40-38-36-16- 14-12-10-8-6-4-2/h44,46,49-50,53-54H,3-43,45,47-48H2,1-2H3,(H,52,55)/b46-44+/t49 -,50+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC CCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |