In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AI5 |
---|---|
Common Name | Cer(t17:0/13:0) |
Systematic Name | N-(tridecanoyl)-4R-hydroxyheptadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C30H61NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | XLKYCKLTJCQOKY-LXQNXJGFSA-N |
InChI | InChI=1S/C30H61NO4/c1-3-5-7-9-11-13-15-16-18-20-22-24-28(33)30(35)27(26-32)31-29 (34)25-23-21-19-17-14-12-10-8-6-4-2/h27-28,30,32-33,35H,3-26H2,1-2H3,(H,31,34)/t 27-,28+,30-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |