LIPID MAPS

Structure Database (LMSD)

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Common Name

trans-2-hexacosenoyl-CoA

Systematic Name

(2E)-hexacos-2-enoyl-coenzyme A;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-hexacos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

Synonyms

(2E)-hexacos-2-enoyl-CoA
(E)-2-hexacosenoyl-CoA
(E)-hexacos-2-enoyl-CoA
trans-2-hexacosenoyl-coenzyme A
trans-hexacos-2-enoyl-CoA
trans-hexacos-2-enoyl-coenzyme A

LM ID

LMFA07050383

Formula

C₄₇H₈₄N₇O₁₇P₃S

Exact Mass

Calculate m/z

1143.485734

Sum Composition

CoA 26:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

GGUUXBBWTGIIGE-KESUDTCVSA-N

InChi (Click to copy)

InChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b27-26+/t36-,40-,41-,42+,46-/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/CCCCCCCCCCCCCCCCCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2