CHEBI:71243 - (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA

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ChEBI Name (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA
ChEBI ID CHEBI:71243
ChEBI ASCII Name (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (2Z)-2-sulfanylpent-2-enedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H40N7O19P3S2
Net Charge 0
Average Mass 911.68300
Monoisotopic Mass 911.10333
InChI InChI=1S/C26H40N7O19P3S2/c1-26(2,20(38)23(39)29-6-5-15(34)28-7-8-57-25(40)14(56)3-4-16(35)36)10-49-55(46,47)52-54(44,45)48-9-13-19(51-53(41,42)43)18(37)24(50-13)33-12-32-17-21(27)30-11-31-22(17)33/h3,11-13,18-20,24,37-38,56H,4-10H2,1-2H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b14-3-/t13-,18-,19-,20?,24-/m1/s1
InChIKey YQHFBNOCNNLEAS-WCWSGWIISA-N
SMILES CC(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)C(=O)NCCC(=O)NCCSC(=O)C(\S)=C\CC(O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA (CHEBI:71243) is a acyl-CoA (CHEBI:17984)
(2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA (CHEBI:71243) is conjugate acid of (2Z)-4-carboxylato-2-sulfanylbut-2-enoyl-CoA(5−) (CHEBI:71239)
(2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA (CHEBI:71243) is tautomer of 4-carboxy-2-thioxobutanoyl-CoA (CHEBI:71313)
Incoming (2Z)-4-carboxylato-2-sulfanylbut-2-enoyl-CoA(5−) (CHEBI:71239) is conjugate base of (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA (CHEBI:71243)
4-carboxy-2-thioxobutanoyl-CoA (CHEBI:71313) is tautomer of (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA (CHEBI:71243)
IUPAC Name
5'-O-[({[4-({3-[(2-{[(2Z)-4-carboxy-2-sulfanylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
Synonym Source
(2Z)-4-carboxy-2-sulfanylbut-2-enoyl-coenzyme A ChEBI
Last Modified
30 November 2012