In-Silico Structure database (LMISSD)
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LM ID | LMGP20049ABU |
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Common Name | PS(10:0/7:1(5E)(4Ke,7OH,7Ke)) |
Systematic Name | 1-decanoyl-2-(4-keto-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(17:1(OH,Ke2)); PS(10:0/7:1(OH,Ke2)) |
Exact Mass | |
Formula | C23H38NO13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | BXAQENPRMKBGBW-LZNDSBFYSA-N |
InChI | InChI=1S/C23H38NO13P/c1-2-3-4-5-6-7-8-9-21(28)34-14-18(15-35-38(32,33)36-16-19(2 4)23(30)31)37-22(29)13-11-17(25)10-12-20(26)27/h10,12,18-19H,2-9,11,13-16,24H2,1 H3,(H,26,27)(H,30,31)(H,32,33)/b12-10+/t18-,19+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)( =O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |