In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029AEK |
---|---|
Common Name | Cer(d15:0/37:0) |
Systematic Name | N-(heptatriacontanoyl)-pentadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C52H105NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | IQZQVJHYUCQPNC-OKPYTHRESA-N |
InChI | InChI=1S/C52H105NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-2 9-30-31-32-33-34-35-36-37-38-40-42-44-46-48-52(56)53-50(49-54)51(55)47-45-43-41- 39-14-12-10-8-6-4-2/h50-51,54-55H,3-49H2,1-2H3,(H,53,56)/t50-,51+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC C |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |