In-Silico Structure database (LMISSD)
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LM ID | LMGP20079AAX |
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Common Name | PA(10:0/20:2(7E,14Z)(5Ep,9Ke,11OH){8,12}) |
Systematic Name | 1-decanoyl-2-(5,6-epoxy-isoPE2)-sn-glycero-3-phosphate |
Synonyms | PA(30:2(Ep,Ke,OH,ring)); PA(10:0/20:2(Ep,Ke,OH,ring)) |
Exact Mass | |
Formula | C33H55O11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | CVXORDQSZQBCPF-LHKGCYTASA-N |
InChI | InChI=1S/C33H55O11P/c1-3-5-7-9-11-13-15-19-32(36)41-23-25(24-42-45(38,39)40)43-3 3(37)20-16-18-30-31(44-30)21-27-26(28(34)22-29(27)35)17-14-12-10-8-6-4-2/h12,14, 21,25-26,28,30-31,34H,3-11,13,15-20,22-24H2,1-2H3,(H2,38,39,40)/b14-12-,27-21+/t 25-,26?,28?,30?,31?/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCC1OC1/C=C1/C(=O)CC(O)C/1C/C=C\CCCCC)=O)COC(CCCCCCCC C)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |