In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039ABV |
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Common Name | Cer(t14:0/20:4(5E,8E,11E,14E)) |
Systematic Name | N-(5E,8E,11E,14E-eicosatetraenoyl)-4R-hydroxytetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C34H61NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | LEEJEUUQIFZRNH-AWRSIZNKSA-N |
InChI | InChI=1S/C34H61NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-33(38)35 -31(30-36)34(39)32(37)28-26-24-22-12-10-8-6-4-2/h11,13,15-16,18-19,21,23,31-32,3 4,36-37,39H,3-10,12,14,17,20,22,24-30H2,1-2H3,(H,35,38)/b13-11+,16-15+,19-18+,23 -21+/t31-,32+,34-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCC CC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |