In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019BY5 |
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Common Name | Cer(d19:2(4E,8E)/13:0) |
Systematic Name | N-(tridecanoyl)-4E,8E-nonadecasphingadienine |
Synonyms | - |
Exact Mass | |
Formula | C32H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | DEWRQHGFMAUDIE-YPFDPCHRSA-N |
InChI | InChI=1S/C32H61NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-31(35)30(29-34)33 -32(36)28-26-24-22-20-14-12-10-8-6-4-2/h18-19,25,27,30-31,34-35H,3-17,20-24,26,2 8-29H2,1-2H3,(H,33,36)/b19-18+,27-25+/t30-,31+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |