In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019AAV |
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Common Name | Cer(d14:1(4E)/17:2(9Z,12Z)) |
Systematic Name | N-(9Z,12Z-heptadecadienoyl)-4E-tetradecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C31H57NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | ZLATVWTYFNVMKC-XTYILHOXSA-N |
InChI | InChI=1S/C31H57NO3/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-31(35)32-29(28-33 )30(34)26-24-22-20-18-12-10-8-6-4-2/h9,11,14-15,24,26,29-30,33-34H,3-8,10,12-13, 16-23,25,27-28H2,1-2H3,(H,32,35)/b11-9-,15-14-,26-24+/t29-,30+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\C/C=C\CCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |