In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AG9 |
---|---|
Common Name | Cer(t16:0/18:4(9E,11E,13E,15E)) |
Systematic Name | N-(9E,11E,13E,15E-octadecatetraenoyl)-4R-hydroxyhexadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C34H61NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | SNOHIKZVTFUUQY-OYCIFQIDSA-N |
InChI | InChI=1S/C34H61NO4/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(38)35-31(30 -36)34(39)32(37)28-26-24-22-20-14-12-10-8-6-4-2/h5,7,9,11,13,15-17,31-32,34,36-3 7,39H,3-4,6,8,10,12,14,18-30H2,1-2H3,(H,35,38)/b7-5+,11-9+,15-13+,17-16+/t31-,32 +,34-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |