In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019ABW |
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Common Name | Cer(d14:1(4E)/20:4(5Z,8Z,10E,14Z)) |
Systematic Name | N-(5Z,8Z,10E,14Z-eicosatetraenoyl)-4E-tetradecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C34H59NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | XKEJFCRRTGUUDI-VAUSNHKKSA-N |
InChI | InChI=1S/C34H59NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35 -32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h11,13,16-19,22,24,27,29,32-33,36-3 7H,3-10,12,14-15,20-21,23,25-26,28,30-31H2,1-2H3,(H,35,38)/b13-11-,17-16+,19-18- ,24-22-,29-27+/t32-,33+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |