In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AJI |
---|---|
Common Name | Cer(t17:0/17:1(9Z)) |
Systematic Name | N-(9Z-heptadecenoyl)-4R-hydroxyheptadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C34H67NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | KOTPGHWFUAROCO-GWHICMELSA-N |
InChI | InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-33(38)35-31(30-36 )34(39)32(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h15-16,31-32,34,36-37,39H,3-14,1 7-30H2,1-2H3,(H,35,38)/b16-15-/t31-,32+,34-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |