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3-hydroxybenzoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1307Image of MNXM1307
#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
formulaC28H36N7O18P3S
charge-4
mass883.606
referencechebi:57342
InChIKeyJTBCMZVWWNFUFR-TYHXJLICSA-J
InChIInChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-5,10,13-14,17,20-22,26,36,38-39H,6-9,11-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1
SMILES[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:35]2[cH:14][n:34][c:19]3[c:23]([NH2:29])[n:32][cH:13][n:33][c:24]32)[O:51]1)[C@H:22]([C:25](=[N:31][CH2:7][CH2:6][C:18](=[N:30][CH2:8][CH2:9][S:57][C:27]([c:15]1[cH:4][cH:3][cH:5][c:16]([OH:36])[cH:10]1)=[O:41])[OH:37])[OH:40])[OH:39]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57342
chebi:57342 		3-hydroxybenzoyl-CoA
3'-phosphonatoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) diphosphate]
3-hydroxybenzoyl-CoA tetraanion
3-hydroxybenzoyl-CoA(4-)
3-hydroxybenzoyl-coenzyme A(4-)
sabiork.compound:7797
sabiorkM:7797
kegg.compound:C05195
keggC:C05195 		3-Hydroxybenzoyl-CoA
seed.compound:cpd03090
seedM:cpd03090 		3-Hydroxybenzoyl-CoA
3-hydroxybenzoyl-CoA
metacyc.compound:CPD-264
metacycM:CPD-264 		3-hydroxybenzoyl-CoA
CHEBI:15484
chebi:15484 		3-hydroxybenzoyl-CoA
3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]
3-Hydroxybenzoyl-CoA
3-hydroxybenzoyl-coenzyme A
m-hydroxybenzoyl-CoA
m-hydroxybenzoyl-coenzyme A
chebi:11829
chebi:1539
chebi:20065
keggC:M_C05195
seedM:M_cpd03090 		secondary/obsolete/fantasy identifier