In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019AXU |
---|---|
Common Name | Cer(d16:1(4E)/16:1(7Z)) |
Systematic Name | N-(7Z-hexadecenoyl)-4E-hexadecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C32H61NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | KYZQLGAPUOPUSF-OVLHEKKMSA-N |
InChI | InChI=1S/C32H61NO3/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-32(36)33-30(29-34)31 (35)27-25-23-21-19-17-14-12-10-8-6-4-2/h16,18,25,27,30-31,34-35H,3-15,17,19-24,2 6,28-29H2,1-2H3,(H,33,36)/b18-16-,27-25+/t30-,31+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |