In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029ATD |
---|---|
Common Name | Cer(d21:0/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-heneicosasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C35H69NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | XPBBQPKBQHERPY-HRACJRRMSA-N |
InChI | InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-34(38)33(32 -37)36-35(39)31-29-27-25-23-20-14-12-10-8-6-4-2/h10,12,33-34,37-38H,3-9,11,13-32 H2,1-2H3,(H,36,39)/b12-10-/t33-,34+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |