In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029AH4 |
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Common Name | Cer(d17:0/17:2(9Z,12Z)) |
Systematic Name | N-(9Z,12Z-heptadecadienoyl)-heptadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C34H65NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | KYNMVXQENGTFMO-WDWUJZOHSA-N |
InChI | InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(38)35-32(31-36 )33(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11,15,17,32-33,36-37H,3-8,10,12- 14,16,18-31H2,1-2H3,(H,35,38)/b11-9-,17-15-/t32-,33+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\C/C=C\CCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |