In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049AB2 |
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Common Name | PS(10:0/8:1(6E)(5OH,8OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(18:1(OH2,Ke)); PS(10:0/8:1(OH2,Ke)) |
Exact Mass | |
Formula | C24H42NO13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | PTLBBMDYDSZLJX-UEXXYNEMSA-N |
InChI | InChI=1S/C24H42NO13P/c1-2-3-4-5-6-7-8-11-22(29)35-15-19(16-36-39(33,34)37-17-20( 25)24(31)32)38-23(30)12-9-10-18(26)13-14-21(27)28/h13-14,18-20,26H,2-12,15-17,25 H2,1H3,(H,27,28)(H,31,32)(H,33,34)/b14-13+/t18?,19-,20+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)( =O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |