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beta-alanyl-CoA

MNXM3219 is deprecated and here replaced by MNXM734052
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM734052

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₄H₃₈N₈O₁₇P₃S

charge

-3

mass

835.13049

reference

chebi:57362

InChIKey

RUWSXZUPLIXLGD-IEXPHMLFSA-K

InChI

InChI=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

SMILES

CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC[NH3+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57362 chebi:57362	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	beta-Alanyl-CoA
CHEBI:15507 chebi:15507	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	secondary/obsolete/fantasy identifier