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4-acetamidobutanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM4357

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₄₁N₈O₁₈P₃S

charge

-4

mass

890.14943

reference

chebi:58583

InChIKey

UEKGDRAHBCQADD-HDRQGHTBSA-J

InChI

InChI=1S/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/p-4/t16-,20-,21-,22+,26-/m1/s1

SMILES

CC(=O)NCCCC(=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:58583 chebi:58583	4-acetamidobutanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} 4-acetamidobutanoyl-CoA(4-)
kegg.compound:C03357 keggC:C03357	4-Acetamidobutanoyl-CoA
seed.compound:cpd02133 seedM:cpd02133	4-Acetamidobutanoyl-CoA 4-acetamidobutanoyl-CoA
metacyc.compound:4-ACETAMIDOBUTANOYL metacycM:4-ACETAMIDOBUTANOYL	4-acetamidobutanoyl-CoA
CHEBI:28684 chebi:28684	4-acetamidobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-Acetamidobutanoyl-CoA 4-acetamidobutanoyl-coenzyme A 4-acetamidobutyryl-CoA 4-acetamidobutyryl-coenzyme A
lipidmaps:LMFA07050261 lipidmapsM:LMFA07050261	4-acetamidobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-acetamidobutyryl-CoA 4-acetamidobutyryl-coenzyme A
chebi:11952 chebi:1778 chebi:20304 keggC:M_C03357 seedM:M_cpd02133	secondary/obsolete/fantasy identifier