In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029AV2 |
---|---|
Common Name | Cer(d22:0/11:0) |
Systematic Name | N-(undecanoyl)-docosasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C33H67NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | YMEGPHBSZWVGKU-AJQTZOPKSA-N |
InChI | InChI=1S/C33H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-32(36)31 (30-35)34-33(37)29-27-25-23-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)/t 31-,32+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |