CHEBI:75636 - 3-methylfumaryl-CoA(5−)

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ChEBI Name 3-methylfumaryl-CoA(5−)
ChEBI ID CHEBI:75636
ChEBI ASCII Name 3-methylfumaryl-CoA(5-)
Definition An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of 3-methylfumaroyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C26H35N7O19P3S
Net Charge -5
Average Mass 874.57800
Monoisotopic Mass 874.09487
InChI InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,36-37H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/b13-8+/t14-,18-,19-,20+,24-/m1/s1
InChIKey UQKJYLOHHMRSFE-CBBDEUQJSA-I
SMILES C\C(=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C([O-])=O
ChEBI Ontology
Outgoing 3-methylfumaryl-CoA(5−) (CHEBI:75636) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
3-methylfumaryl-CoA(5−) (CHEBI:75636) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
3-methylfumaryl-CoA(5−) (CHEBI:75636) is conjugate base of 3-methylfumaryl-CoA (CHEBI:75856)
Incoming 3-methylfumaryl-CoA (CHEBI:75856) is conjugate acid of 3-methylfumaryl-CoA(5−) (CHEBI:75636)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-3-carboxy-3-methylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
3-methylfumaryl-CoA UniProt
3-methylfumaryl-coenzyme A(5−) ChEBI
Manual Xref Database
CPD-14205 MetaCyc
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Citation Waiting for Citations Type Source
19955419 PubMed citation SUBMITTER
Last Modified
02 February 2017