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4-hydroxybenzoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104715

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	8

formula

C₂₈H₃₆N₇O₁₈P₃S

charge

-4

mass

883.10723

reference

chebi:57356

InChIKey

LTVXPVBFJBTNIJ-TYHXJLICSA-J

InChI

InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)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/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(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

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)c1ccc(O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57356 chebi:57356	4-hydroxybenzoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} 4-hydroxybenzoyl-CoA(4-)
bigg.metabolite:4hbzcoa biggM:4hbzcoa	4 hydroxybenoyl CoA
hmdb:HMDB0060140	4-Hydroxybenoyl-CoA 4-Hydroxybenzoyl-coenzyme A 4-hydroxybenzoyl coenzyme A S-(4-Hydroxybenzoyl)-CoA coenzyme A, S-(4-Hydroxybenzoate) coenzyme A, S-(4-Hydroxybenzoic acid) p-Hydroxybenzoyl-CoA p-Hydroxybenzoyl-coenzyme A {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(4-hydroxybenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
sabiork.compound:2603 sabiorkM:2603 envipath:...6ee8b3156c03 envipathM:...6ee8b3156c03 kegg.compound:C02949 keggC:C02949	4-Hydroxybenzoyl-CoA
seed.compound:cpd01892 seedM:cpd01892	4-Hydroxybenzoyl-CoA 4-hydroxybenzoyl-CoA 4hbcoa p-hydroxybenzoyl-CoA
CHEBI:15500 chebi:15500	4-hydroxybenzoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-Hydroxybenzoyl-CoA 4-Hydroxybenzoyl-coa 4-Hydroxybenzoyl-coenzyme A Coenzyme A, S-(4-hydroxybenzoate) S-(4-hydroxybenzoyl)-CoA p-hydroxybenzoyl-CoA p-hydroxybenzoyl-coenzyme A
metacyc.compound:CPD-201 metacycM:CPD-201	4-hydroxybenzoyl-CoA p-hydroxybenzoyl-CoA
hmdb:HMDB60140 chebi:12004 chebi:12005 chebi:1859 chebi:20399 chebi:40998 biggM:M_4hbzcoa keggC:M_C02949 seedM:M_cpd01892	secondary/obsolete/fantasy identifier