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5-hydroxythiophene-2-carbonyl-CoA

MNXM4397 is deprecated and here replaced by MNXM1369507
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369507 Image of MNXM1369507
referencechebi:57358
formulaC26H33N7O18P3S2
global charge-5
mol weight888.637
InChIKeyNVBINDTXSDBAEW-ITIYDSSPSA-I
InChIInChI=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
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-])S1
MNX internals
InChI (mnx)InChI=1/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)/t13-,18-,19-,20+,24-/m1/s1 Image of MNXM1369507
SMILES (mnx)[CH3:1][C:26]([CH3:2])([CH2:10][O:48][P:54]([OH:45])(=[O:46])[O:51][P:53]([OH:43])(=[O:44])[O:47][CH2:9][C@@H:13]1[C@@H:19]([O:50][P:52]([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:49]1)[C@H:20]([C:23](=[N:29][CH2:6][CH2:5][C:15](=[N:28][CH2:7][CH2:8][S:55][C:25]([C:14]1=[CH:3][CH:4]=[C:16]([OH:35])[S:56]1)=[O:39])[OH:34])[OH:38])[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57358
chebi:57358
NVBINDTXSDBAEW-ITIYDSSPSA-I 		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
NVBINDTXSDBAEW-ITIYDSSPSA-N 		5-Hydroxythiophene-2-carbonyl-CoA

CHEBI:15502
chebi:15502
NVBINDTXSDBAEW-ITIYDSSPSA-N 		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
NVBINDTXSDBAEW-ITIYDSSPSA-I 		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 		secondary/obsolete/fantasy identifier