In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AKX |
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Common Name | PS(O-16:1(9Z)/21:0) |
Systematic Name | 1-(9Z-hexadecenyl)-2-heneicosanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(O-37:1); PS(O-16:1/21:0) |
Exact Mass | |
Formula | C43H84NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | MFKHOIWYZLSUPM-ZOMJBIPJSA-N |
InChI | InChI=1S/C43H84NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-42(4 5)53-40(38-51-54(48,49)52-39-41(44)43(46)47)37-50-36-34-32-30-28-26-24-18-16-14- 12-10-8-6-4-2/h14,16,40-41H,3-13,15,17-39,44H2,1-2H3,(H,46,47)(H,48,49)/b16-14-/ t40-,41+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\C CCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |