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(2S)-methylsuccinyl-CoA

MNXM5823 is deprecated and here replaced by MNXM1105876
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105876 Image of MNXM1105876
referencechebi:84866
formulaC26H37N7O19P3S
global charge-5
mol weight876.601
InChIKeyOUFHQHVVFSERRI-VKBDFPRVSA-I
InChIInChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t13-,14+,18+,19+,20-,24+/m0/s1
SMILESC[C@@H](CC(=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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14+,18+,19+,20-,24+/m0/s1 Image of MNXM1105876
SMILES (mnx)[CH3:1][C@@H:13]([CH2:8][C:16](=[O:35])[OH:36])[C:25](=[O:40])[S:56][CH2:7][CH2:6][N:28]=[C:15]([CH2:4][CH2:5][N:29]=[C:23]([C@@H:20]([C:26]([CH3:2])([CH3:3])[CH2:10][O:49][P:55]([OH:46])(=[O:47])[O:52][P:54]([OH:44])(=[O:45])[O:48][CH2:9][C@@H:14]1[C@@H:19]([O:51][P:53]([OH:41])([OH:42])=[O:43])[C@@H:18]([OH:37])[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)[OH:38])[OH:39])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84866
chebi:84866
OUFHQHVVFSERRI-VKBDFPRVSA-I 		(2S)-methylsuccinyl-CoA
(2S)-methylsuccinyl-CoA(5-)

seed.compound:cpd19589
seedM:cpd19589
OUFHQHVVFSERRI-VKBDFPRVSA-I 		(2S)-Methylsuccinyl-CoA
(2S)-methylsuccinyl-CoA
Methylsuccinyl-CoA
Methylsuccinyl-coenzyme A
methylsuccinyl-CoA

kegg.compound:C18324
keggC:C18324
OUFHQHVVFSERRI-VKBDFPRVSA-N 		(2S)-Methylsuccinyl-CoA
Methylsuccinyl-CoA
Methylsuccinyl-coenzyme A

metacyc.compound:CPD-9407
metacycM:CPD-9407
OUFHQHVVFSERRI-VKBDFPRVSA-I 		(2S)-methylsuccinyl-CoA

CHEBI:81672
chebi:81672
OUFHQHVVFSERRI-VKBDFPRVSA-N 		(2S)-methylsuccinyl-CoA
(2S)-methylsuccinyl-coenzyme A
Methylsuccinyl-CoA
Methylsuccinyl-coenzyme A

bigg.metabolite:methsuccoa
biggM:methsuccoa
vmhM:methsuccoa
vmhmetabolite:methsuccoa
OUFHQHVVFSERRI-UHFFFAOYSA-I
OUFHQHVVFSERRI-VKBDFPRVSA-I 		Methyl-Succinyl Coenzyme A

biggM:M_methsuccoa
keggC:M_C18324
seedM:M_cpd19589
vmhM:M_methsuccoa 		secondary/obsolete/fantasy identifier