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(2E,11Z,14Z)-eicosatrienoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM145821

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₄₁H₆₄N₇O₁₇P₃S

charge

-4

mass

1051.33142

reference

chebi:76409

InChIKey

JLHULLPFTGLIGF-DBYUABGNSA-J

InChI

InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,20-21,28-30,34-36,40,51-52H,4-7,10,13-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,21-20+/t30-,34-,35-,36+,40-/m1/s1

SMILES

CCCCC/C=C\C/C=C\CCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76409 chebi:76409	(2E,11Z,14Z)-eicosatrienoyl-CoA (2E,11Z,14Z)-eicosatrienoyl-CoA(4-) (2E,11Z,14Z)-eicosatrienoyl-coenzyme A(4-) (2E,11Z,14Z)-icosatrienoyl-CoA(4-) (2E,11Z,14Z)-icosatrienoyl-coenzyme A(4-) 2trans,11cis,14cis-icosatrienoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,11Z,14Z)-icosa-2,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
SLM:000389609 slm:000389609	(2E,11Z,14Z)-eicosatrienoyl-CoA
seed.compound:cpd31757 seedM:cpd31757	(2E,11Z,14Z)-icosa-2,11,14-trienoyl-CoA (2E,11Z,14Z)-icosatrienoyl-CoA
CHEBI:76532 chebi:76532	(2E,11Z,14Z)-icosatrienoyl-CoA (2E,11Z,14Z)-eicosatrienoyl-CoA (2E,11Z,14Z)-eicosatrienoyl-coenzyme A (2E,11Z,14Z)-icosatrienoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,11Z,14Z)-icosa-2,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:CPD-17348 metacycM:CPD-17348	(2E,11Z,14Z)-icosatrienoyl-CoA (2E,11Z,14Z)-icosa-2,11,14-trienoyl-CoA
seedM:M_cpd31757	secondary/obsolete/fantasy identifier