In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039ARW |
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Common Name | Cer(t20:0/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-4R-hydroxyeicosasphinganine |
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 | XMKHUCRBFDKIJO-MJEXDEIYSA-N |
InChI | InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-32(37)34(39)31(30 -36)35-33(38)29-27-25-23-21-18-14-12-10-8-6-4-2/h10,12,31-32,34,36-37,39H,3-9,11 ,13-30H2,1-2H3,(H,35,38)/b12-10-/t31-,32+,34-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |