In-Silico Structure database (LMISSD)
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LM ID | LMSP02019AU7 |
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Common Name | Cer(d15:2(4E,8E)/18:1(11Z)) |
Systematic Name | N-(11Z-octadecenoyl)-4E,8E-pentadecasphingadienine |
Synonyms | - |
Exact Mass | |
Formula | C33H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | BKGFLJPXKVGABS-RQQSVQLISA-N |
InChI | InChI=1S/C33H61NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(37)34-31(30 -35)32(36)28-26-24-22-20-14-12-10-8-6-4-2/h13-15,20,26,28,31-32,35-36H,3-12,16-1 9,21-25,27,29-30H2,1-2H3,(H,34,37)/b15-13-,20-14+,28-26+/t31-,32+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCC/C=C\CCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |