mesaconyl-CoA(5-) (CHEBI:75635)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:75635 - mesaconyl-CoA(5−)

Take structure to advanced search

ChEBI ID	CHEBI:75635
ChEBI Name	mesaconyl-CoA(5−)
Stars
ASCII Name	mesaconyl-CoA(5-)
Definition	An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of mesaconyl-CoA.
Last Modified	2 February 2017
Submitter	KAX
Downloads	Molfile

Formula	C26H35N7O19P3S
Net Charge	-5
Average Mass	874.585
Monoisotopic Mass	874.09487
SMILES	C/C(=C\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-]
InChI	InChI=1S/C26H40N7O19P3S/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/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(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/b13-8+/t14-,18-,19-,20+,24-/m1/s1
InChIKey	LVBVWNJPMXCQJE-CBBDEUQJSA-I

ChEBI Ontology

Outgoing Relation(s)
	mesaconyl-CoA(5−) (CHEBI:75635) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
	mesaconyl-CoA(5−) (CHEBI:75635) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
	mesaconyl-CoA(5−) (CHEBI:75635) is conjugate base of mesaconyl-CoA (CHEBI:27969)
Incoming Relation(s)
	mesaconyl-CoA (CHEBI:27969) is conjugate acid of mesaconyl-CoA(5−) (CHEBI:75635)

IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-3-carboxy-2-methylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}

Synonyms	Source
2-methylfumaroyl-coenzyme A(5−)	ChEBI
mesaconyl-coenzyme A(5−)	ChEBI
2-methylfumaroyl-CoA(5−)	ChEBI

UniProt Name	Source
2-methylfumaryl-CoA	UniProt

Manual Xrefs	Databases
CPD-9408	MetaCyc

Citations