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(2E)-hexenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104717

	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	23

formula

C₂₇H₄₀N₇O₁₇P₃S

charge

-4

mass

859.14362

reference

chebi:62077

InChIKey

OINXHIBNZUUIMR-IXUYQXAASA-J

InChI

InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b7-6+/t16-,20-,21-,22+,26-/m1/s1

SMILES

CCC/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:62077 chebi:62077	(2E)-hexenoyl-CoA (2E)-hexenoyl-CoA(4-) (2E)-hexenoyl-coenzyme A(4-) hexenoyl-CoA(4-) trans-hex-2-enoyl-CoA(4-) trans-hex-2-enoyl-coenzyme A(4-)
seed.compound:cpd03125 seedM:cpd03125	(2E)-Hexenoyl-CoA (2E)-hexenoyl-CoA hexenoyl-CoA hx2coa trans-2-hexenoyl-CoA trans-Hex-2-enoyl-CoA trans-hex-2-enoyl-CoA
SLM:000001034 slm:000001034	(2E)-hexenoyl-CoA
metacyc.compound:CPD0-2121 metacycM:CPD0-2121	(2E)-hexenoyl-CoA hexenoyl-CoA trans-2-hexenoyl-CoA trans-hex-2-enoyl-CoA
bigg.metabolite:hx2coa biggM:hx2coa	Trans-Hex-2-enoyl-CoA
sabiork.compound:2748 sabiorkM:2748 kegg.compound:C05271 keggC:C05271	trans-Hex-2-enoyl-CoA (2E)-Hexenoyl-CoA
reactome:R-ALL-77324 reactomeM:R-ALL-77324 CHEBI:28706 chebi:28706	trans-hex-2-enoyl-CoA (2E)-Hexenoyl-CoA (2E)-hexenoyl-coenzyme A 2E-hexenoyl-CoA 2E-hexenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hex-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} trans-2,3-dehydrohexanoyl-CoA trans-2,3-dehydrohexanoyl-coenzyme A trans-2-hexenoyl-coenzyme A trans-Hex-2-enoyl-CoA trans-hex-2-enoyl-coenzyme A
lipidmaps:LMFA07050393 lipidmapsM:LMFA07050393	trans-hex-2-enoyl-CoA (2E)-hexenoyl-coenzyme A 2E-hexenoyl-CoA 2E-hexenoyl-coenzyme A CoA 6:1 trans-2,3-dehydrohexanoyl-CoA trans-2,3-dehydrohexanoyl-coenzyme A trans-2-hexenoyl-coenzyme A trans-hex-2-enoyl-coenzyme A
chebi:10726 chebi:27076 biggM:M_hx2coa keggC:M_C05271 seedM:M_cpd03125	secondary/obsolete/fantasy identifier