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(2-aminobenzoyl)acetyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM162336

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

formula

C₃₀H₃₉N₈O₁₈P₃S

charge

-4

mass

924.13378

reference

chebi:131447

InChIKey

OLOTULRNHWZRKJ-FUEUKBNZSA-J

InChI

InChI=1S/C30H43N8O18P3S/c1-30(2,25(43)28(44)34-8-7-20(40)33-9-10-60-21(41)11-18(39)16-5-3-4-6-17(16)31)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h3-6,14-15,19,23-25,29,42-43H,7-13,31H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,23-,24-,25+,29-/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(=O)c1ccccc1N

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131447 chebi:131447	(2-aminobenzoyl)acetyl-CoA 2-aminobenzoylacetyl-CoA(4-)
sabiork.compound:32337 sabiorkM:32337	(2-Aminobenzoyl)acetyl-CoA 3-(2-Aminophenyl)-3-oxopropanoyl-CoA
metacyc.compound:CPD-19113 metacycM:CPD-19113 seed.compound:cpd34290 seedM:cpd34290	(2-aminobenzoyl)acetyl-CoA
kegg.compound:C21452 keggC:C21452	2-Aminobenzoylacetyl-CoA
CHEBI:131952 chebi:131952	2-aminobenzoylacetyl-CoA 2-aminobenzoylacetyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(2-aminophenyl)-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
keggC:M_C21452 seedM:M_cpd34290	secondary/obsolete/fantasy identifier