In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019A55 |
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Common Name | Cer(d16:2(4E,8E)/11:0) |
Systematic Name | N-(undecanoyl)-4E,8E-hexadecasphingadienine |
Synonyms | - |
Exact Mass | |
Formula | C27H51NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | WYHAFUSQUJYRLG-KALPLCLHSA-N |
InChI | InChI=1S/C27H51NO3/c1-3-5-7-9-11-13-14-15-16-18-20-22-26(30)25(24-29)28-27(31)23 -21-19-17-12-10-8-6-4-2/h14-15,20,22,25-26,29-30H,3-13,16-19,21,23-24H2,1-2H3,(H ,28,31)/b15-14+,22-20+/t25-,26+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |