Search MNXref
 Feedback

4-hydroxybenzoyl-CoA

PropertiesImage
MNX_IDMNXM1104715 Image of MNXM1104715
referencechebi:57356
formulaC28H36N7O18P3S
global charge-4
mol weight883.616
InChIKeyLTVXPVBFJBTNIJ-TYHXJLICSA-J
InChIInChI=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
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=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/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)/t17-,20-,21-,22+,26-/m1/s1 Image of MNXM1104715
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: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][CH2:8][CH2:7][C:18](=[N:30][CH2:9][CH2:10][S:57][C:27]([C:15]1=[CH:4][CH:6]=[C:16]([OH:36])[CH:5]=[CH:3]1)=[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) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57356
chebi:57356
LTVXPVBFJBTNIJ-TYHXJLICSA-J 		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
LTVXPVBFJBTNIJ-TYHXJLICSA-J 		4 hydroxybenoyl CoA
hmdb:HMDB0060140
LTVXPVBFJBTNIJ-TYHXJLICSA-N 		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

envipath:...6ee8b3156c03
envipathM:...6ee8b3156c03
sabiork.compound:2603
sabiorkM:2603
kegg.compound:C02949
keggC:C02949
LTVXPVBFJBTNIJ-TYHXJLICSA-N 		4-Hydroxybenzoyl-CoA

seed.compound:cpd01892
seedM:cpd01892
LTVXPVBFJBTNIJ-TYHXJLICSA-J 		4-Hydroxybenzoyl-CoA
4-hydroxybenzoyl-CoA
4hbcoa
p-hydroxybenzoyl-CoA

vmhM:4hbzcoa
vmhmetabolite:4hbzcoa
LTVXPVBFJBTNIJ-TYHXJLICSA-J 		4-hydroxybenoyl-CoA
{[(2R,4S,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]phospho

CHEBI:15500
chebi:15500
LTVXPVBFJBTNIJ-TYHXJLICSA-N 		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
LTVXPVBFJBTNIJ-TYHXJLICSA-J 		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
vmhM:M_4hbzcoa 		secondary/obsolete/fantasy identifier