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5-hydroxythiophene-2-carbonyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM4397

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₆H₃₃N₇O₁₈P₃S₂

charge

-5

mass

888.05638

reference

chebi:57358

InChIKey

NVBINDTXSDBAEW-ITIYDSSPSA-I

InChI

InChI=1S/C26H38N7O18P3S2/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-55-25(39)14-3-4-16(35)56-14)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(36)24(49-13)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-13,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-5/t13-,18-,19-,20+,24-/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-])s1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57358 chebi:57358	5-hydroxythiophene-2-carbonyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-oxidothiophene-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} 5-hydroxythiophene-2-carbonyl-CoA(5-)
kegg.compound:C07348 keggC:C07348	5-Hydroxythiophene-2-carbonyl-CoA
seed.compound:cpd04551 seedM:cpd04551	5-Hydroxythiophene-2-carbonyl-CoA 5-hydroxythiophene-2-carbonyl-CoA [5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-[2-[(5-hydroxy-2-thienyl)carbonylsulfanyl] ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid
CHEBI:15502 chebi:15502	5-hydroxythiophene-2-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxythiophene-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 5-Hydroxythiophene-2-carbonyl-CoA 5-hydroxythiophene-2-carbonyl-coenzyme A S-(5-hydroxythiophene-2-carbonyl)-CoA
metacyc.compound:5-HYDROXYTHIOPHENE-2-CARBONYL-COA metacycM:5-HYDROXYTHIOPHENE-2-CARBONYL-COA	5-hydroxythiophene-2-carbonyl-CoA [5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-[2-[(5-hydroxy-2-thienyl)carbonylsulfanyl] ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid
chebi:12141 chebi:20594 chebi:2130 keggC:M_C07348 seedM:M_cpd04551	secondary/obsolete/fantasy identifier