In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049AAW |
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Common Name | PS(10:0/20:2(5Z,13E)(9OH[S],11Ke,15OH[S]){8a,12b}) |
Systematic Name | 1-decanoyl-2-PGD2-sn-glycero-3-phosphoserine |
Synonyms | PS(30:2(OH2,Ke,ring)); PS(10:0/20:2(OH2,Ke,ring)) |
Exact Mass | |
Formula | C36H62NO13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | UOYKQDXYFLNJSZ-GUHQDZJJSA-N |
InChI | InChI=1S/C36H62NO13P/c1-3-5-7-8-9-10-15-19-34(41)47-24-28(25-48-51(45,46)49-26-3 1(37)36(43)44)50-35(42)20-16-12-11-14-18-29-30(33(40)23-32(29)39)22-21-27(38)17- 13-6-4-2/h11,14,21-22,27-32,38-39H,3-10,12-13,15-20,23-26,37H2,1-2H3,(H,43,44)(H ,45,46)/b14-11-,22-21+/t27-,28+,29+,30+,31-,32-/m0/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1/C= C/[C@@H](O)CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |