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(2E)-pentenoyl-CoA

MNXM20340 is deprecated and here replaced by MNXM1104255
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104255 Image of MNXM1104255
referencechebi:86160
formulaC26H38N7O17P3S
global charge-4
mol weight845.611
InChIKeyGJSFKOVNQYGUGN-JQVZGLFNSA-J
InChIInChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b6-5+/t15-,19-,20-,21+,25-/m1/s1
SMILESCC/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/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b6-5+/t15-,19-,20-,21+,25-/m1/s1 Image of MNXM1104255
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]/[C:17](=[O:35])[S:54][CH2:10][CH2:9][N:28]=[C:16]([CH2:7][CH2:8][N:29]=[C:24]([C@@H:21]([C:26]([CH3:2])([CH3:3])[CH2:12][O:47][P:53]([OH:44])(=[O:45])[O:50][P:52]([OH:42])(=[O:43])[O:46][CH2:11][C@@H:15]1[C@@H:20]([O:49][P:51]([OH:39])([OH:40])=[O:41])[C@@H:19]([OH:36])[C@H:25]([N:33]2[CH:14]=[N:32][C:18]3=[C:22]([NH2:27])[N:30]=[CH:13][N:31]=[C:23]32)[O:48]1)[OH:37])[OH:38])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86160
chebi:86160
GJSFKOVNQYGUGN-JQVZGLFNSA-J 		(2E)-pentenoyl-CoA
(2E)-pent-2-enoyl-CoA(4-)
(2E)-pent-2-enoyl-coenzyme A(4-)
(2E)-pentenoyl-CoA(4-)
(2E)-pentenoyl-coenzyme A(4-)

bigg.metabolite:M00063
biggM:M00063
GJSFKOVNQYGUGN-JQVZGLFNSA-J 		(2E)-Pentenoyl Coenzyme A

vmhM:M00063
vmhmetabolite:M00063
GJSFKOVNQYGUGN-JQVZGLFNSA-J 		(2E)-Pentenoyl-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-(pent-2-enoylsulfanyl

metacyc.compound:CPD-20685
metacycM:CPD-20685
GJSFKOVNQYGUGN-JQVZGLFNSA-J 		(2E)-pent-2-enoyl-CoA
2-pentenoyl-CoA

SLM:000485392
slm:000485392
GJSFKOVNQYGUGN-JQVZGLFNSA-J 		(2E)-pentenoyl-CoA

CHEBI:86441
chebi:86441
GJSFKOVNQYGUGN-JQVZGLFNSA-N 		(2E)-pentenoyl-CoA
(2E)-pent-2-enoyl-CoA
(2E)-pent-2-enoyl-coenzyme A
(2E)-pentenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-pent-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

kegg.compound:C02451
keggC:C02451
GJSFKOVNQYGUGN-JQVZGLFNSA-N 		Pent-2-enoyl-CoA

seed.compound:cpd01613
seedM:cpd01613
GJSFKOVNQYGUGN-JQVZGLFNSA-J 		Pent-2-enoyl-CoA
2-pentenoyl-CoA

biggM:M_M00063
keggC:M_C02451
seedM:M_cpd01613
vmhM:M_M00063 		secondary/obsolete/fantasy identifier