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beta-alanyl-CoA

MNXM3219 is deprecated and here replaced by MNXM1371551
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371551 Image of MNXM1371551
referencechebi:57362
formulaC24H38N8O17P3S
global charge-3
mol weight835.596
InChIKeyRUWSXZUPLIXLGD-IEXPHMLFSA-K
InChIInChI=1S/C24H41N8O17P3S/c1-24(2,19(36)22(37)28-6-4-14(33)27-7-8-53-15(34)3-5-25)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,35-36H,3-10,25H2,1-2H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-3/t13-,17-,18-,19+,23-/m1/s1
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC[NH3+]
MNX internals
InChI (mnx)InChI=1/C24H41N8O17P3S/c1-24(2,19(36)22(37)28-6-4-14(33)27-7-8-53-15(34)3-5-25)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,35-36H,3-10,25H2,1-2H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t13-,17-,18-,19+,23-/m1/s1 Image of MNXM1371551
SMILES (mnx)[CH3:1][C:24]([CH3:2])([CH2:10][O:46][P:52]([OH:43])(=[O:44])[O:49][P:51]([OH:41])(=[O:42])[O:45][CH2:9][C@@H:13]1[C@@H:18]([O:48][P:50]([OH:38])([OH:39])=[O:40])[C@@H:17]([OH:35])[C@H:23]([N:32]2[CH:12]=[N:31][C:16]3=[C:20]([NH2:26])[N:29]=[CH:11][N:30]=[C:21]32)[O:47]1)[C@H:19]([C:22](=[N:28][CH2:6][CH2:4][C:14](=[N:27][CH2:7][CH2:8][S:53][C:15]([CH2:3][CH2:5][NH2:25])=[O:34])[OH:33])[OH:37])[OH:36]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57362
chebi:57362
RUWSXZUPLIXLGD-IEXPHMLFSA-K 		beta-alanyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-azaniumylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
3-aminopropionyl-CoA(3-)
S-beta-Ala-CoA(3-)
S-beta-alanyl-CoA(3-)
beta-Ala-CoA(3-)
beta-alanyl-CoA trianion
beta-alanyl-CoA(3-)
beta-alanyl-coenzyme A(3-)

kegg.compound:C02335
keggC:C02335
RUWSXZUPLIXLGD-IEXPHMLFSA-N 		beta-Alanyl-CoA

seed.compound:cpd01560
seedM:cpd01560
RUWSXZUPLIXLGD-IEXPHMLFSA-K 		beta-Alanyl-CoA
beta-alanyl-CoA

vmhM:balnlcoa
vmhmetabolite:balnlcoa
RUWSXZUPLIXLGD-IEXPHMLFSA-N 		beta-Alanyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(3-aminopropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydrox

CHEBI:15507
chebi:15507
RUWSXZUPLIXLGD-IEXPHMLFSA-N 		beta-alanyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-aminopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-aminopropionyl-CoA
3-aminopropionyl-coenzyme A
S-beta-Ala-CoA
S-beta-Alanyl-coenzym-A
S-beta-alanyl-CoA
S-beta-alanyl-coenzyme-A
beta-Alanyl-CoA
beta-alanyl-coenzyme A
beta-aminopropionyl-CoA
beta-aminopropionyl-coenzyme A

chebi:10346
chebi:12391
chebi:22825
keggC:M_C02335
seedM:M_cpd01560
vmhM:M_balnlcoa 		secondary/obsolete/fantasy identifier