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(R)-methylmalonyl-CoA

PropertiesImage
MNX_IDMNXM738783 Image of MNXM738783
referencechebi:57326
formulaC25H35N7O19P3S
global charge-5
mol weight862.574
InChIKeyMZFOKIKEPGUZEN-AGCMQPJKSA-I
InChIInChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-5/t12-,13-,16-,17-,18+,22-/m1/s1
SMILESC[C@H](C(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
MNX internals
InChI (mnx)InChI=1/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1 Image of MNXM738783
SMILES (mnx)[C@@H:1]1([O:38]2[O:39]3=[O:41]([O:43]=[O:40]2)[O:44]([OH:47])=[O:46][O:45]=[O:42]3)[CH2:2][C@H:4]([NH:32][CH2:25][N:31]([CH2:24][N:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:49](=[O:50])[P@@:54]([PH:52](=[O:51])[PH2:53])[SH:55])=[CH2:11])=[CH2:15])[CH3:22])(=[NH:26])[NH2:27])(=[NH:28])[NH2:29])[C@@H:5]([O:33][O:36]([OH:34])([OH:35])=[O:37])[C@H:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)21
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57326
chebi:57326
MZFOKIKEPGUZEN-AGCMQPJKSA-I 		(R)-methylmalonyl-CoA
(R)-methylmalonyl-CoA(5-)

sabiork.compound:2266
sabiorkM:2266
MZFOKIKEPGUZEN-AGCMQPJKSA-N 		(R)-2-Methyl-3-oxopropanoyl-CoA
(R)-2-Methyl-3-oxopropionyl-CoA
(R)-3-Oxo-2-methylpropanoyl-CoA
(R)-Methylmalonyl-CoA

bigg.metabolite:mmcoa__R
biggM:mmcoa__R 		(R)-Methylmalonyl-CoA

kegg.compound:C01213
keggC:C01213
MZFOKIKEPGUZEN-AGCMQPJKSA-N 		(R)-Methylmalonyl-CoA
L-Methylmalonyl-CoA

SLM:000485354
slm:000485354
MZFOKIKEPGUZEN-AGCMQPJKSA-I 		(R)-methylmalonyl-CoA

vmhM:mmcoa_R
vmhM:mmcoa_R
vmhmetabolite:mmcoa_R
vmhmetabolite:mmcoa_R
MZFOKIKEPGUZEN-AGCMQPJKSA-I 		(R)-methylmalonyl-CoA(5-)
(2R)-3-[(2-{3-[(2R)-3-[({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanam

reactome:R-ALL-71009
reactomeM:R-ALL-71009
CHEBI:15465
chebi:15465
MZFOKIKEPGUZEN-AGCMQPJKSA-N 		(R)-methylmalonyl-CoA
(R)-2-Methyl-3-oxopropanoyl-CoA
(R)-2-Methyl-3-oxopropionyl-CoA
(R)-3-Oxo-2-methylpropanoyl-CoA
(R)-Methylmalonyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
METHYLMALONYL-COENZYME A

lipidmaps:LMFA07050152
lipidmapsM:LMFA07050152
MZFOKIKEPGUZEN-AGCMQPJKSA-N 		(R)-methylmalonyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
CoA 4:1
METHYLMALONYL-COENZYME A
O2

metacyc.compound:METHYL-MALONYL-COA
metacycM:METHYL-MALONYL-COA
MZFOKIKEPGUZEN-AGCMQPJKSA-I 		(R)-methylmalonyl-CoA
CH3-malonyl-CoA
L-methylmalonyl-CoA
methyl-malonyl-coenzyme A
methylmalonyl-CoA

seed.compound:cpd00891
seedM:cpd00891
MZFOKIKEPGUZEN-AGCMQPJKSA-I 		L-methylmalonyl-CoA
(R)-2-Methyl-3-oxopropionyl-CoA
(R)-3-Oxo-2-methylpropanoyl-CoA
(R)-Methylmalonyl-CoA
(R)-methylmalonyl-CoA
L-Methylmalonyl-CoA
methylmalonyl-CoA
mmcoa-R

chebi:10976
chebi:18654
chebi:313
biggM:M_mmcoa__R
keggC:M_C01213
seedM:M_cpd00891
vmhM:M_mmcoa_R 		secondary/obsolete/fantasy identifier