In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029AX1 |
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Common Name | Cer(d14:0/18:2(2E,4E)) |
Systematic Name | N-(2E,4E-octadecadienoyl)-tetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C32H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | JGOAIGWXDNJSCE-NIUHGIHHSA-N |
InChI | InChI=1S/C32H61NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29 -34)31(35)27-25-23-21-19-12-10-8-6-4-2/h22,24,26,28,30-31,34-35H,3-21,23,25,27,2 9H2,1-2H3,(H,33,36)/b24-22+,28-26+/t30-,31+/m0/s1 |
SMILES | [C@](CO)([H])(NC(/C=C/C=C/CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |