LIPID MAPS

Structure Database (LMSD)

Common Name

(2-trans,4-cis)-deca-2,4-dienoyl-CoA

Systematic Name

2E,4Z-decadienoyl-CoA

Synonyms

(2-trans,4-cis)-deca-2,4-dienoyl-coenzyme A
(2t,4c)-deca-2,4-dienoyl-CoA
2-trans-4-cis-decadienoyl-CoA
2-trans-4-cis-decadienoyl-coenzyme A

LM ID

LMFA07050110

Status

Active

Exact Mass

Calculate m/z

917.219684

Formula

C₃₁H₅₀N₇O₁₇P₃S

Abbrev

CoA 10:2

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

FASAKYLWSRDQOH-IMVFQKDNSA-N

InChi (Click to copy)

InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8-,11-10+/t20-,24-,25-,26+,30-/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@@H](O)C(=O)NCCC(=O)NCCSC(/C=C/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2