CHEBI:57339 - 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5−)
ChEBI ID CHEBI:57339
ChEBI ASCII Name 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5-)
Definition An acyl-CoA oxoanion arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H45N7O19P3S
Net Charge -5
Average Mass 956.72100
Monoisotopic Mass 956.17312
InChI InChI=1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-5/b19-13+/t20-,25-,26-,27+,31-/m1/s1
InChIKey BVEJAKPMABGOEE-JQQGIELXSA-I
SMILES CC(C)=CCC\C(CC([O-])=O)=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
ChEBI Ontology
Outgoing 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5−) (CHEBI:57339) is a acyl-CoA oxoanion (CHEBI:58946)
3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5−) (CHEBI:57339) is conjugate base of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA (CHEBI:15480)
Incoming 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA (CHEBI:15480) is conjugate acid of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5−) (CHEBI:57339)
Synonym Source
3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA UniProt
Last Modified
27 February 2012