In-Silico Structure database (LMISSD)
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LM ID | LMGP03039AGG |
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Common Name | PS(P-16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3- phosphoserine |
Synonyms | PS(P-38:6); PS(P-16:1/22:5) |
Exact Mass | |
Formula | C44H74NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303] |
PubChem Compound ID (CID) | - |
InChIKey | VQKOHAMYERSSKS-GVCGCTSYSA-N |
InChI | InChI=1S/C44H74NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-4 3(46)54-41(39-52-55(49,50)53-40-42(45)44(47)48)38-51-37-35-33-31-29-27-25-18-16- 14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,24,26,30,32,35,37,41-42H,3-10,12,15,18 ,20,23,25,27-29,31,33-34,36,38-40,45H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,16-14-,1 9-17-,22-21-,26-24-,32-30-,37-35-/t41-,42+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O) CO/C=C\CCCCCC/C=C\CCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |