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5-hydroxy-2-furoyl-CoA

MNXM118220 is deprecated and here replaced by MNXM727180
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727180 Image of MNXM727180
referencechebi:57365
formulaC26H33N7O19P3S
global charge-5
mol weight872.569
InChIKeyIDJHMFITFRNMIE-CITAKDKDSA-I
InChIInChI=1S/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,35-37H,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/t14-,18-,19-,20+,24-/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-])O1
MNX internals
InChI (mnx)InChI=1/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20+,24-/m1/s1 Image of MNXM727180
SMILES (mnx)[CH3:1][C:26]([CH3:2])([CH2:10][O:48][P:55]([OH:45])(=[O:46])[O:52][P:54]([OH:43])(=[O:44])[O:47][CH2:9][C@@H:14]1[C@@H:19]([O:51][P:53]([OH:40])([OH:41])=[O:42])[C@@H:18]([OH:36])[C@H:24]([N:33]2[CH:12]=[N:32][C:17]3=[C:21]([NH2:27])[N:30]=[CH:11][N:31]=[C:22]32)[O:50]1)[C@H:20]([C:23](=[N:29][CH2:6][CH2:5][C:15](=[N:28][CH2:7][CH2:8][S:56][C:25]([C:13]1=[CH:3][CH:4]=[C:16]([OH:35])[O:49]1)=[O:39])[OH:34])[OH:38])[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57365
chebi:57365
IDJHMFITFRNMIE-CITAKDKDSA-I 		5-hydroxy-2-furoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-oxidofuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
5-hydroxy-2-furoyl-CoA(5-)

envipath:...2c2852b7d306
envipathM:...2c2852b7d306
IDJHMFITFRNMIE-CITAKDKDSA-N 		5-Hydroxy-2-furoyl-CoA

lipidmaps:LMFA07050267
lipidmapsM:LMFA07050267
IDJHMFITFRNMIE-CITAKDKDSA-N 		5-hydroxy-2-furoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 5:3
O2

CHEBI:15510
chebi:15510
IDJHMFITFRNMIE-CITAKDKDSA-N 		5-hydroxy-2-furoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
S-(5-Hydroxy-2-furoyl)-CoA
S-(5-hydroxy-2-furoyl)-CoA

kegg.compound:C03724
keggC:C03724
IDJHMFITFRNMIE-CITAKDKDSA-N 		S-(5-Hydroxy-2-furoyl)-CoA

seed.compound:cpd02334
seedM:cpd02334
INLPMDVWMSUUGE-CITAKDKDSA-J 		S-(5-Hydroxy-2-furoyl)-CoA
S-(5-hydroxy-2-furoyl)-CoA
[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-[2-[(5-hydroxy-2-furyl)carbonylsulfanyl] ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid

metacyc.compound:S-5-HYDROXY-2-FUROYL-COA
metacycM:S-5-HYDROXY-2-FUROYL-COA
IDJHMFITFRNMIE-CITAKDKDSA-J 		S-(5-hydroxy-2-furoyl)-CoA
[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-[2-[(5-hydroxy-2-furyl)carbonylsulfanyl] ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid

chebi:12736
chebi:22017
chebi:8935
keggC:M_C03724
seedM:M_cpd02334 		secondary/obsolete/fantasy identifier