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2-furoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM2321

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₆H₃₄N₇O₁₈P₃S

charge

-4

mass

857.09158

reference

chebi:57333

InChIKey

IIKOXWXMCPEVLL-DJVIHCHSSA-J

InChI

InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,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)c1ccco1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57333 chebi:57333	2-furoyl-CoA 2-furoyl-CoA(4-) 2-furoyl-coenzyme A tetraanion 2-furoyl-coenzyme A(4-) 2-furylformyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(furan-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
envipath:...1fae70c6fc03 envipathM:...1fae70c6fc03 kegg.compound:C00845 keggC:C00845	2-Furoyl-CoA
seed.compound:cpd00629 seedM:cpd00629	2-Furoyl-CoA 2-furoyl-CoA
metacyc.compound:CPD-73 metacycM:CPD-73	2-furoyl-CoA
CHEBI:15474 chebi:15474	2-furoyl-CoA 2-Furoyl-CoA 2-furoyl-coenzyme A 2-furylformyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(furan-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
chebi:1102 chebi:11578 chebi:19584 keggC:M_C00845 seedM:M_cpd00629	secondary/obsolete/fantasy identifier