In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029ATQ |
---|---|
Common Name | Cer(d21:0/18:0) |
Systematic Name | N-(octadecanoyl)-heneicosasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C39H79NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | SFKADONSKZJVNN-QPPIDDCLSA-N |
InChI | InChI=1S/C39H79NO3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(42)37(36 -41)40-39(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2 ,1-2H3,(H,40,43)/t37-,38+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |