LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3R-hydroxy-8Z,11Z,14Z-eicosatrienoyl-CoA

Synonyms

LM ID

LMFA07050495

Formula

C₄₁H₆₈N₇O₁₈P₃S

Exact Mass

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1071.35544

Sum Composition

CoA 20:3;O

Status

Computationally Generated

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Classification

Reactions

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String Representations

InChiKey (Click to copy)

GFVFSXUAKLZOGC-NULWUIHISA-N

InChi (Click to copy)

InChI=1S/C41H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,14-15,27-30,34-36,40,49,52-53H,4-7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b9-8-,12-11-,15-14-/t29-,30-,34-,35-,36+,40-/m1/s1

SMILES (Click to copy)

[C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCC/C=C\C/C=C\C/C=C\CCCCC)O1)N1C=NC2C(N)=NC=NC1=2