In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AAU |
---|---|
Common Name | Cer(t14:0/17:1(9Z)) |
Systematic Name | N-(9Z-heptadecenoyl)-4R-hydroxytetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C31H61NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | FTRMGNGBKMUYCA-BCJKXCQYSA-N |
InChI | InChI=1S/C31H61NO4/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-30(35)32-28(27-33 )31(36)29(34)25-23-21-19-12-10-8-6-4-2/h14-15,28-29,31,33-34,36H,3-13,16-27H2,1- 2H3,(H,32,35)/b15-14-/t28-,29+,31-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |