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(2E)-hexenoyl-CoA

PropertiesImage
MNX_IDMNXM1104717 Image of MNXM1104717
referencechebi:62077
formulaC27H40N7O17P3S
global charge-4
mol weight859.638
InChIKeyOINXHIBNZUUIMR-IXUYQXAASA-J
InChIInChI=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
SMILESCCC/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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/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)/b7-6+/t16-,20-,21-,22+,26-/m1/s1 Image of MNXM1104717
SMILES (mnx)[CH3:1][CH2:4][CH2:5]/[CH:6]=[CH:7]/[C:18](=[O:36])[S:55][CH2:11][CH2:10][N:29]=[C:17]([CH2:8][CH2:9][N:30]=[C:25]([C@@H:22]([C:27]([CH3:2])([CH3:3])[CH2:13][O:48][P:54]([OH:45])(=[O:46])[O:51][P:53]([OH:43])(=[O:44])[O:47][CH2:12][C@@H:16]1[C@@H:21]([O:50][P:52]([OH:40])([OH:41])=[O:42])[C@@H:20]([OH:37])[C@H:26]([N:34]2[CH:15]=[N:33][C:19]3=[C:23]([NH2:28])[N:31]=[CH:14][N:32]=[C:24]32)[O:49]1)[OH:38])[OH:39])[OH:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 22
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-77324
reactomeM:R-ALL-77324
CHEBI:62077
chebi:62077
OINXHIBNZUUIMR-IXUYQXAASA-J 		(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
OINXHIBNZUUIMR-IXUYQXAASA-J 		(2E)-Hexenoyl-CoA
(2E)-hexenoyl-CoA
hexenoyl-CoA
hx2coa
trans-2-hexenoyl-CoA
trans-Hex-2-enoyl-CoA
trans-hex-2-enoyl-CoA

vmhM:HC01410
vmhmetabolite:HC01410
OINXHIBNZUUIMR-IXUYQXAASA-J 		(2E)-Hexenoyl-CoA
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

metacyc.compound:CPD0-2121
metacycM:CPD0-2121
OINXHIBNZUUIMR-IXUYQXAASA-J 		(2E)-hex-2-enoyl-CoA
(2E)-hexenoyl-CoA
hexenoyl-CoA
trans-2-hexenoyl-CoA
trans-hex-2-enoyl-CoA

SLM:000001034
slm:000001034
OINXHIBNZUUIMR-IXUYQXAASA-J 		(2E)-hexenoyl-CoA

bigg.metabolite:hx2coa
biggM:hx2coa
OINXHIBNZUUIMR-IXUYQXAASA-J 		Trans-Hex-2-enoyl-CoA
hmdb:HMDB0003944
OINXHIBNZUUIMR-IXUYQXAASA-J 		trans-2-Hexenoyl-CoA
(2E)-Hexenoyl-CoA
(2E)-Hexenoyl-coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-({[(3-{[2-({2-[(2E)-hex-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxyphosphonic acid
trans-2,3-Dehydrohexanoyl-CoA
trans-2,3-Dehydrohexanoyl-coenzyme A
trans-Hex-2-enoyl-CoA
trans-Hex-2-enoyl-coenzyme A
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-hex-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

sabiork.compound:2748
sabiorkM:2748
kegg.compound:C05271
keggC:C05271
OINXHIBNZUUIMR-IXUYQXAASA-N 		trans-Hex-2-enoyl-CoA
(2E)-Hexenoyl-CoA

vmhM:hx2coa
vmhmetabolite:hx2coa
OINXHIBNZUUIMR-IXUYQXAASA-J 		trans-Hex-2-enoyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-hex-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)

CHEBI:28706
chebi:28706
OINXHIBNZUUIMR-IXUYQXAASA-N 		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
OINXHIBNZUUIMR-IXUYQXAASA-N 		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

hmdb:HMDB0012970
hmdb:HMDB03944
hmdb:HMDB12970
chebi:10726
chebi:27076
biggM:M_hx2coa
keggC:M_C05271
seedM:M_cpd03125
vmhM:M_HC01410
vmhM:M_hx2coa 		secondary/obsolete/fantasy identifier