In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019ABF |
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Common Name | Cer(d14:1(4E)/18:3(9Z,12Z,15Z)) |
Systematic Name | N-(9Z,12Z,15Z-octadecatrienoyl)-4E-tetradecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C32H57NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | XIQWGYTWQPXEBZ-PMEHQTCFSA-N |
InChI | InChI=1S/C32H57NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29 -34)31(35)27-25-23-21-19-12-10-8-6-4-2/h5,7,11,13,15-16,25,27,30-31,34-35H,3-4,6 ,8-10,12,14,17-24,26,28-29H2,1-2H3,(H,33,36)/b7-5-,13-11-,16-15-,27-25+/t30-,31+ /m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)[C@]([H])(O)/C=C/CCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |