In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019ABV |
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Common Name | PC(10:0/7:1(5E)(4OH,7Ke)) |
Systematic Name | 1-decanoyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(17:1(OH,Ke)); PC(10:0/7:1(OH,Ke)) |
Exact Mass | |
Formula | C25H46NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | UZWBNMNGWSAAGT-RBMWHQNVSA-N |
InChI | InChI=1S/C25H46NO10P/c1-5-6-7-8-9-10-11-14-24(29)33-20-23(36-25(30)16-15-22(28)1 3-12-18-27)21-35-37(31,32)34-19-17-26(2,3)4/h12-13,18,22-23,28H,5-11,14-17,19-21 H2,1-4H3/b13-12+/t22?,23-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |