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(2E)-decenoyl-CoA

MNXM580 is deprecated and here replaced by MNXM1104631
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104631 Image of MNXM1104631
referencechebi:61406
formulaC31H48N7O17P3S
global charge-4
mol weight915.746
InChIKeyMGNBGCRQQFMNBM-YJHHLLFWSA-J
InChIInChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b11-10+/t20-,24-,25-,26+,30-/m1/s1
SMILESCCCCCCC/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/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26+,30-/m1/s1 Image of MNXM1104631
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]/[C:22](=[O:40])[S:59][CH2:15][CH2:14][N:33]=[C:21]([CH2:12][CH2:13][N:34]=[C:29]([C@@H:26]([C:31]([CH3:2])([CH3:3])[CH2:17][O:52][P:58]([OH:49])(=[O:50])[O:55][P:57]([OH:47])(=[O:48])[O:51][CH2:16][C@@H:20]1[C@@H:25]([O:54][P:56]([OH:44])([OH:45])=[O:46])[C@@H:24]([OH:41])[C@H:30]([N:38]2[CH:19]=[N:37][C:23]3=[C:27]([NH2:32])[N:35]=[CH:18][N:36]=[C:28]32)[O:53]1)[OH:42])[OH:43])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)26
in models (compartimentalized) 28
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61406
chebi:61406
MGNBGCRQQFMNBM-YJHHLLFWSA-J 		(2E)-decenoyl-CoA
trans-2,3-didehydroacyl-CoA (C10)(4-)
trans-2-decenoyl-coenzyme A tetraanion
trans-2-decenoyl-coenzyme A(4-)
trans-dec-2-enoyl-CoA tetraanion
trans-dec-2-enoyl-CoA(4-)

seed.compound:cpd03129
seedM:cpd03129
MGNBGCRQQFMNBM-YJHHLLFWSA-J 		(2E)-Decenoyl-CoA
(2E)-dec-2-enoyl-CoA
2-trans-decenoyl-CoA
2E-decenoyl-CoA
dc2coa
trans-Dec-2-enoyl-CoA
trans-dec-2-enoyl-CoA
trans-delta2-decenoyl-CoA

metacyc.compound:T2-DECENOYL-COA
metacycM:T2-DECENOYL-COA
MGNBGCRQQFMNBM-YJHHLLFWSA-J 		(2E)-dec-2-enoyl-CoA
2-trans-decenoyl-CoA
2E-decenoyl-CoA
trans-Delta2-decenoyl-CoA
trans-dec-2-enoyl-CoA

SLM:000000907
slm:000000907
MGNBGCRQQFMNBM-YJHHLLFWSA-J 		(2E)-decenoyl-CoA

bigg.metabolite:dc2coa
biggM:dc2coa
MGNBGCRQQFMNBM-YJHHLLFWSA-J 		Trans-Dec-2-enoyl-CoA

sabiork.compound:2752
sabiorkM:2752
kegg.compound:C05275
keggC:C05275
MGNBGCRQQFMNBM-YJHHLLFWSA-N 		trans-Dec-2-enoyl-CoA
(2E)-Decenoyl-CoA

vmhM:dc2coa
vmhmetabolite:dc2coa
MGNBGCRQQFMNBM-YJHHLLFWSA-J 		trans-Dec-2-enoyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)

reactome:R-ALL-77343
reactomeM:R-ALL-77343
CHEBI:10723
chebi:10723
MGNBGCRQQFMNBM-YJHHLLFWSA-N 		trans-dec-2-enoyl-CoA
(2E)-2-decenoyl-coenzyme A
(2E)-Decenoyl-CoA
2-trans-decenoyl-coenzyme A
2E-decenoyl-CoA
2E-decenoyl-coenzyme A
3'-phosphoadenosine 5'-[3-(4-{[3-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]
trans-2,3-didehydroacyl-CoA (C10)
trans-2-decenoyl-coenzyme A
trans-Dec-2-enoyl-CoA
trans-dec-2-enoyl-coenzyme A

lipidmaps:LMFA07050391
lipidmapsM:LMFA07050391
MGNBGCRQQFMNBM-YJHHLLFWSA-N 		trans-dec-2-enoyl-CoA
(2E)-2-decenoyl-coenzyme A
(2E)-Decenoyl-CoA
2-trans-decenoyl-coenzyme A
2E-decenoyl-CoA
2E-decenoyl-coenzyme A
3'-phosphoadenosine 5'-[3-(4-{[3-({2-[(2E)-dec-2-noylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]
CoA 10:1
trans-2,3-didehydroacyl-CoA (C10)
trans-2-decenoyl-coenzyme A
trans-Dec-2-enoyl-CoA
trans-dec-2-enoyl-coenzyme A
hmdb:HMDB0304511
MGNBGCRQQFMNBM-YJHHLLFWSA-J 		trans-delta2-decenoyl-CoA
(2E)-Decenoyl-CoA
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}carboximidato)ethyl]-2-hydroxy-3,3-dimethylbutanecarboximidate
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-[2-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}carboximidato)ethyl]-2-hydroxy-3,3-dimethylbutanecarboximidate
trans-2,3-Didehydroacyl-CoA (C10)(4-)
trans-2-Decenoyl-coenzyme A tetraanion
trans-2-Decenoyl-coenzyme A(4-)
trans-Dec-2-enoyl-CoA tetraanion

biggM:M_dc2coa
keggC:M_C05275
seedM:M_cpd03129
vmhM:M_dc2coa 		secondary/obsolete/fantasy identifier