In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029AFU |
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Common Name | Cer(d16:0/18:4(9E,11E,13E,15E)) |
Systematic Name | N-(9E,11E,13E,15E-octadecatetraenoyl)-hexadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C34H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | GRRPERBPPIOGFL-GAVNKZAKSA-N |
InChI | InChI=1S/C34H61NO3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-34(38)35-32(31 -36)33(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,9,11,13,15-17,32-33,36-37H,3-4 ,6,8,10,12,14,18-31H2,1-2H3,(H,35,38)/b7-5+,11-9+,15-13+,17-16+/t32-,33+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)[C@]([H])(O)CCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |