In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039ABU |
---|---|
Common Name | Cer(t14:0/20:3(8Z,11Z,14Z)) |
Systematic Name | N-(8Z,11Z,14Z-eicosatrienoyl)-4R-hydroxytetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C34H63NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | URMKRONDAIWXMW-DPFQIESYSA-N |
InChI | InChI=1S/C34H63NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-33(38)35 -31(30-36)34(39)32(37)28-26-24-22-12-10-8-6-4-2/h11,13,15-16,18-19,31-32,34,36-3 7,39H,3-10,12,14,17,20-30H2,1-2H3,(H,35,38)/b13-11-,16-15-,19-18-/t31-,32+,34-/m 0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |