In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039ABH |
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Common Name | Cer(t14:0/18:4(9E,11E,13E,15E)) |
Systematic Name | N-(9E,11E,13E,15E-octadecatetraenoyl)-4R-hydroxytetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C32H57NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | QKAHBLSOTYPCEE-JTRCTMEQSA-N |
InChI | InChI=1S/C32H57NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-31(36)33-29(28 -34)32(37)30(35)26-24-22-20-12-10-8-6-4-2/h5,7,9,11,13-16,29-30,32,34-35,37H,3-4 ,6,8,10,12,17-28H2,1-2H3,(H,33,36)/b7-5+,11-9+,14-13+,16-15+/t29-,30+,32-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |