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(2S)-methylsuccinyl-CoA

MNXM5823 is deprecated and here replaced by MNXM1105876
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105876

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	3

formula

C₂₆H₃₇N₇O₁₉P₃S

charge

-5

mass

876.11052

reference

chebi:84866

InChIKey

OUFHQHVVFSERRI-VKBDFPRVSA-I

InChI

InChI=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

SMILES

C[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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84866 chebi:84866	(2S)-methylsuccinyl-CoA (2S)-methylsuccinyl-CoA(5-)
seed.compound:cpd19589 seedM:cpd19589	(2S)-Methylsuccinyl-CoA (2S)-methylsuccinyl-CoA Methylsuccinyl-CoA Methylsuccinyl-coenzyme A methylsuccinyl-CoA
kegg.compound:C18324 keggC:C18324	(2S)-Methylsuccinyl-CoA Methylsuccinyl-CoA Methylsuccinyl-coenzyme A
metacyc.compound:CPD-9407 metacycM:CPD-9407	(2S)-methylsuccinyl-CoA
CHEBI:81672 chebi:81672	(2S)-methylsuccinyl-CoA (2S)-methylsuccinyl-coenzyme A Methylsuccinyl-CoA Methylsuccinyl-coenzyme A
bigg.metabolite:methsuccoa biggM:methsuccoa	Methyl-Succinyl Coenzyme A
biggM:M_methsuccoa keggC:M_C18324 seedM:M_cpd19589	secondary/obsolete/fantasy identifier