In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039ARS |
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Common Name | Cer(t20:0/13:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydodecanoyl)-4R-hydroxyeicosasphinganine |
Synonyms | Cer(t33:0h); Cer(t20:0/13:0h) |
Exact Mass | |
Formula | C33H67NO5 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | XCZNGHRXYAFVSE-BVEPWEIPSA-N |
InChI | InChI=1S/C33H67NO5/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-26-30(36)32(38)29(28 -35)34-33(39)31(37)27-25-23-21-18-12-10-8-6-4-2/h29-32,35-38H,3-28H2,1-2H3,(H,34 ,39)/t29-,30+,31+,32-/m0/s1 |
SMILES | [C@](CO)([H])(NC([C@H](O)CCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |