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formyl-CoA

PropertiesImage
MNX_IDMNXM738242 Image of MNXM738242
referencechebi:57376
formulaC22H32N7O17P3S
global charge-4
mol weight791.519
InChIKeySXMOKYXNAPLNCW-GORZOVPNSA-J
InChIInChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/p-4/t12-,15-,16-,17+,21-/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
MNX internals
InChI (mnx)InChI=1/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17+,21-/m1/s1 Image of MNXM738242
SMILES (mnx)[CH3:1][C:22]([CH3:2])([CH2:8][O:43][P:49]([OH:40])(=[O:41])[O:46][P:48]([OH:38])(=[O:39])[O:42][CH2:7][C@@H:12]1[C@@H:16]([O:45][P:47]([OH:35])([OH:36])=[O:37])[C@@H:15]([OH:32])[C@H:21]([N:29]2[CH:10]=[N:28][C:14]3=[C:18]([NH2:23])[N:26]=[CH:9][N:27]=[C:19]32)[O:44]1)[C@H:17]([C:20](=[N:25][CH2:4][CH2:3][C:13](=[N:24][CH2:5][CH2:6][S:50][CH:11]=[O:30])[OH:31])[OH:34])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)21
in models (compartimentalized) 17
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57376
chebi:57376
SXMOKYXNAPLNCW-GORZOVPNSA-J 		formyl-CoA
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(formylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
formyl-CoA(4-)

sabiork.compound:2158
sabiorkM:2158
kegg.compound:C00798
keggC:C00798
SXMOKYXNAPLNCW-GORZOVPNSA-N 		Formyl-CoA

bigg.metabolite:forcoa
biggM:forcoa 		Formyl-CoA(4-)

seed.compound:cpd00592
seedM:cpd00592
SXMOKYXNAPLNCW-GORZOVPNSA-J 		Formyl-CoA
forcoa
formyl-CoA

metacyc.compound:FORMYL-COA
metacycM:FORMYL-COA
SXMOKYXNAPLNCW-GORZOVPNSA-J 		formyl-CoA

vmhM:formcoa
vmhmetabolite:formcoa
SXMOKYXNAPLNCW-GORZOVPNSA-J 		formyl-CoA(4-)
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(formylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl

reactome:R-ALL-389578
reactomeM:R-ALL-389578
CHEBI:15522
chebi:15522
SXMOKYXNAPLNCW-GORZOVPNSA-N 		formyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(formylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Formyl-CoA
formyl-coenzyme A

vmhM:forcoa
vmhmetabolite:forcoa
SXMOKYXNAPLNCW-GORZOVPNSA-N 		formyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(formylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl

chebi:14282
chebi:24092
chebi:49609
chebi:5150
biggM:M_forcoa
keggC:M_C00798
seedM:M_cpd00592
vmhM:M_forcoa
vmhM:M_formcoa 		secondary/obsolete/fantasy identifier