In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AMA |
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Common Name | Cer(t18:0/16:1(7Z)) |
Systematic Name | N-(7Z-hexadecenoyl)-4R-hydroxysphinganine |
Synonyms | - |
Exact Mass | |
Formula | C34H67NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | QWZGBLHIHHGZCQ-KBRDFWFOSA-N |
InChI | InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)35-31(30-36)34 (39)32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,31-32,34,36-37,39H,3-16,1 8,20-30H2,1-2H3,(H,35,38)/b19-17-/t31-,32+,34-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |