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(2E)-octenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106007

	#reac
in my sandbox	0
in MNXref (generic)	23
in models (compartimentalized)	24

formula

C₂₉H₄₄N₇O₁₇P₃S

charge

-4

mass

887.17492

reference

chebi:62242

InChIKey

CPSDNAXXKWVYIY-NTLMCJQISA-J

InChI

InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b9-8+/t18-,22-,23-,24+,28-/m1/s1

SMILES

CCCCC/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:62242 chebi:62242	(2E)-octenoyl-CoA (2E)-octenoyl-CoA(4-) (2E)-octenoyl-coenzyme A(4-) trans-2,3-didehydroacyl-CoA (C8)(4-) trans-2-octenoyl-coenzyme A(4-) trans-oct-2-enoyl-CoA(4-) trans-oct-2-enoyl-coenzyme A(4-)
bigg.metabolite:HC01415 biggM:HC01415	(2E)-Octenoyl Coenzyme A
seed.compound:cpd03130 seedM:cpd03130	(2E)-Octenoyl-CoA (2E)-oct-2-enoyl-CoA (2E)-octenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-oct-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} oc2coa trans-2-octenoyl-coenzyme A trans-Oct-2-enoyl-CoA trans-oct-2-enoyl-CoA
metacyc.compound:CPD0-2108 metacycM:CPD0-2108	(2E)-oct-2-enoyl-CoA (2E)-octenoyl-CoA trans-2-octenoyl-coenzyme A trans-oct-2-enoyl-CoA
SLM:000001033 slm:000001033	(2E)-octenoyl-CoA
bigg.metabolite:c81coa biggM:c81coa	Octenoyl Coenzyme A
sabiork.compound:23096 sabiorkM:23096	Octenoyl-CoA trans-Oct-2-enoyl-CoA
hmdb:HMDB0002992	S-2-Octenoyl CoA 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(oct-2-enoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidate 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(oct-2-enoylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidate 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(oct-2-enoylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid S-2-Octenoate S-2-Octenoate CoA S-2-Octenoate coenzyme A S-2-Octenoic acid S-2-Octenoyl coenzyme A S-[2-[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] oct-2-enethioic acid [5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-[(2-{[2-(oct-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(oct-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
bigg.metabolite:oc2coa biggM:oc2coa	Trans-Oct-2-enoyl-CoA
sabiork.compound:2753 sabiorkM:2753 kegg.compound:C05276 keggC:C05276	trans-Oct-2-enoyl-CoA (2E)-Octenoyl-CoA
reactome:R-ALL-77332 reactomeM:R-ALL-77332 CHEBI:27537 chebi:27537	trans-oct-2-enoyl-CoA (2E)-Octenoyl-CoA (2E)-octenoyl-coenzyme A 2,3-trans-octenoyl coenzyme A 2E-octenoyl-CoA 2E-octenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-oct-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} oct-2-trans-enoyl-CoA oct-trans-2-enoyl-CoA trans-2-octenoyl-coenzyme A trans-Oct-2-enoyl-CoA trans-oct-2-enoyl-coenzyme A
lipidmaps:LMFA07050394 lipidmapsM:LMFA07050394	trans-oct-2-enoyl-CoA (2E)-octenoyl-coenzyme A 2,3-trans-octenoyl coenzyme A 2E-octenoyl-CoA 2E-octenoyl-coenzyme A CoA 8:1 oct-2-trans-enoyl-CoA oct-trans-2-enoyl-CoA trans-2-octenoyl-coenzyme A trans-oct-2-enoyl-coenzyme A
hmdb:HMDB02992 chebi:10732 chebi:27078 biggM:M_HC01415 biggM:M_c81coa biggM:M_oc2coa keggC:M_C05276 seedM:M_cpd03130	secondary/obsolete/fantasy identifier