In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AUA |
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Common Name | Cer(t20:0/32:0) |
Systematic Name | N-(dotriacontanoyl)-4R-hydroxyeicosasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C52H105NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | OARUQYVQVBPVIW-FIURKFKLSA-N |
InChI | InChI=1S/C52H105NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-3 1-32-33-35-37-39-41-43-45-47-51(56)53-49(48-54)52(57)50(55)46-44-42-40-38-36-34- 18-16-14-12-10-8-6-4-2/h49-50,52,54-55,57H,3-48H2,1-2H3,(H,53,56)/t49-,50+,52-/m 0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCC CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |