In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AI6 |
---|---|
Common Name | Cer(t17:0/14:0(2OH[R])) |
Systematic Name | N-(2R-hydroxytetradecanoyl)-4R-hydroxyheptadecasphinganine |
Synonyms | Cer(t31:0h); Cer(t17:0/14:0h) |
Exact Mass | |
Formula | C31H63NO5 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | MSQSSKSKUBECIO-KJHMZRPRSA-N |
InChI | InChI=1S/C31H63NO5/c1-3-5-7-9-11-13-15-17-18-20-22-24-28(34)30(36)27(26-33)32-31 (37)29(35)25-23-21-19-16-14-12-10-8-6-4-2/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)CCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |