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anthraniloyl-CoA

PropertiesImage
MNX_IDMNXM1182 Image of MNXM1182
referencechebi:57331
formulaC28H37N8O17P3S
global charge-4
mol weight882.632
InChIKeyXLURBJBQJZCJHJ-TYHXJLICSA-J
InChIInChI=1S/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12,29H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/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)C1=CC=CC=C1N
MNX internals
InChI (mnx)InChI=1/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12,29H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1 Image of MNXM1182
SMILES (mnx)[CH3:1][C:28]([CH3:2])([CH2:12][O:50][P:56]([OH:47])(=[O:48])[O:53][P:55]([OH:45])(=[O:46])[O:49][CH2:11][C@@H:17]1[C@@H:21]([O:52][P:54]([OH:42])([OH:43])=[O:44])[C@@H:20]([OH:38])[C@H:26]([N:36]2[CH:14]=[N:35][C:19]3=[C:23]([NH2:30])[N:33]=[CH:13][N:34]=[C:24]32)[O:51]1)[C@H:22]([C:25](=[N:32][CH2:8][CH2:7][C:18](=[N:31][CH2:9][CH2:10][S:57][C:27]([C:15]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:16]1[NH2:29])=[O:41])[OH:37])[OH:40])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57331
chebi:57331
XLURBJBQJZCJHJ-TYHXJLICSA-J 		anthraniloyl-CoA
2-aminobenzoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-aminobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
anthraniloyl-CoA(4-)
anthraniloyl-coenzyme A(4-)
anthranilyl-CoA tetraanion
anthranilyl-CoA(4-)
anthranilyl-coenzyme A(4-)

envipath:...6e936deef9d9
envipathM:...6e936deef9d9
XLURBJBQJZCJHJ-TYHXJLICSA-N 		2-Aminobenzoyl-CoA

sabiork.compound:29947
sabiorkM:29947
XLURBJBQJZCJHJ-TYHXJLICSA-N 		Anthraniloyl-CoA

kegg.compound:C02247
keggC:C02247
XLURBJBQJZCJHJ-TYHXJLICSA-N 		Anthraniloyl-CoA
2-Aminobenzoyl-CoA

vmhM:anthcoa
vmhmetabolite:anthcoa
XLURBJBQJZCJHJ-TYHXJLICSA-N 		Anthranilyl-CoA

seed.compound:cpd01518
seedM:cpd01518
XLURBJBQJZCJHJ-TYHXJLICSA-J 		Anthranilyl-CoA
2-Aminobenzoyl-CoA
2-aminobenzoyl-CoA
Anthraniloyl-CoA
anthranilate-CoA
anthraniloyl-CoA
anthranilyl-CoA

CHEBI:15472
chebi:15472
XLURBJBQJZCJHJ-TYHXJLICSA-N 		anthraniloyl-CoA
2-Aminobenzoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-aminobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Anthranilyl-CoA
anthraniloyl-coenzyme A
anthranilyl-CoA
anthranilyl-coenzyme A

metacyc.compound:2-AMINOBENZOYL-COA
metacycM:2-AMINOBENZOYL-COA
XLURBJBQJZCJHJ-TYHXJLICSA-J 		anthraniloyl-CoA
2-aminobenzoyl-CoA
anthranilate-CoA
anthranilyl-CoA

lipidmaps:LMFA07050287
lipidmapsM:LMFA07050287
XLURBJBQJZCJHJ-TYHXJLICSA-N 		anthraniloyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-aminobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
anthraniloyl-coenzyme A
anthranilyl-CoA
anthranilyl-coenzyme A

chebi:11521
chebi:13842
chebi:22579
chebi:2758
keggC:M_C02247
seedM:M_cpd01518
vmhM:M_anthcoa 		secondary/obsolete/fantasy identifier