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3-hydroxybenzoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1307

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

formula

C₂₈H₃₆N₇O₁₈P₃S

charge

-4

mass

883.10723

reference

chebi:57342

InChIKey

JTBCMZVWWNFUFR-TYHXJLICSA-J

InChI

InChI=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

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)c1cccc(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
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