In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AI8 |
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Common Name | Cer(t17:0/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-4R-hydroxyheptadecasphinganine |
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 | NYEZAPGFFPHCOR-OFHCLASGSA-N |
InChI | InChI=1S/C31H61NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(34)31(36)28(27-33)32-30 (35)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,28-29,31,33-34,36H,3-9,11,13-27H2, 1-2H3,(H,32,35)/b12-10-/t28-,29+,31-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |