In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029AIJ |
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Common Name | Cer(d17:0/18:2(9E,11E)) |
Systematic Name | N-(9E,11E-octadecadienoyl)-heptadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C35H67NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | BFFPUBSWIYBCCA-WCCUDNKESA-N |
InChI | InChI=1S/C35H67NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(39)36-33(32 -37)34(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,17-18,33-34,37-38H,3-12,1 4,16,19-32H2,1-2H3,(H,36,39)/b15-13+,18-17+/t33-,34+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCC/C=C/C=C/CCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |