In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019B7N |
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Common Name | Cer(d20:2(4E,8E)/10:0) |
Systematic Name | N-(decanoyl)-4E,8E-eicosasphingadienine |
Synonyms | - |
Exact Mass | |
Formula | C30H57NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | ZDFKFQLNKZJGBO-YLLPWTHVSA-N |
InChI | InChI=1S/C30H57NO3/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-29(33)28(27-32 )31-30(34)26-24-22-19-10-8-6-4-2/h17-18,23,25,28-29,32-33H,3-16,19-22,24,26-27H2 ,1-2H3,(H,31,34)/b18-17+,25-23+/t28-,29+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |