In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029AAG |
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Common Name | Cer(d14:0/20:4(5E,8E,11E,14E)) |
Systematic Name | N-(5E,8E,11E,14E-eicosatetraenoyl)-tetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C34H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | FGNDMEPELBOPLL-WCFWYICVSA-N |
InChI | InChI=1S/C34H61NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35 -32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h11,13,15-16,18-19,22,24,32-33,36-3 7H,3-10,12,14,17,20-21,23,25-31H2,1-2H3,(H,35,38)/b13-11+,16-15+,19-18+,24-22+/t 32-,33+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |