In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019A0V |
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Common Name | Cer(d16:1(8E)/17:2(9Z,12Z)) |
Systematic Name | N-(9Z,12Z-heptadecadienoyl)-8E-hexadecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C33H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | GZMNPRHFYURSKW-CKUJCSPQSA-N |
InChI | InChI=1S/C33H61NO3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-33(37)34-31(30-35 )32(36)28-26-24-22-20-18-14-12-10-8-6-4-2/h9,11,15-16,18,20,31-32,35-36H,3-8,10, 12-14,17,19,21-30H2,1-2H3,(H,34,37)/b11-9-,16-15-,20-18+/t31-,32+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\C/C=C\CCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |