In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AUI |
---|---|
Common Name | Cer(t21:0/10:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydecanoyl)-4R-hydroxyheneicosasphinganine |
Synonyms | Cer(t31:0h); Cer(t21:0/10:0h) |
Exact Mass | |
Formula | C31H63NO5 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | VSBRVKQIYVMCLM-KJHMZRPRSA-N |
InChI | InChI=1S/C31H63NO5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-22-24-28(34)30(36)27 (26-33)32-31(37)29(35)25-23-20-10-8-6-4-2/h27-30,33-36H,3-26H2,1-2H3,(H,32,37)/t 27-,28+,29+,30-/m0/s1 |
SMILES | [C@](CO)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |