In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019AR3 |
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Common Name | Cer(d15:2(4E,6E)/16:1(9Z)) |
Systematic Name | N-(9Z-hexadecenoyl)-4E,6E-pentadecasphingadienine |
Synonyms | - |
Exact Mass | |
Formula | C31H57NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | OTFAMZISGBAPIU-HIBZILBDSA-N |
InChI | InChI=1S/C31H57NO3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-31(35)32-29(28-33)30 (34)26-24-22-20-18-14-12-10-8-6-4-2/h13,15,20,22,24,26,29-30,33-34H,3-12,14,16-1 9,21,23,25,27-28H2,1-2H3,(H,32,35)/b15-13-,22-20+,26-24+/t29-,30+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |