CHEBI:15480 - 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA
ChEBI ID CHEBI:15480
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1432, CHEBI:19935, CHEBI:11728, CHEBI:11729
Supplier Information ZINC000196061940
Download Molfile XML SDF
Formula C32H50N7O19P3S
Net Charge 0
Average Mass 961.76100
Monoisotopic Mass 961.20950
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)/b19-13+/t20-,25-,26-,27+,31-/m1/s1
InChIKey BVEJAKPMABGOEE-JQQGIELXSA-N
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
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 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA (CHEBI:15480) has functional parent coenzyme A (CHEBI:15346)
3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA (CHEBI:15480) is a 2-enoyl-CoA (CHEBI:19573)
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)
Incoming 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)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[7-methyl-3-(2-oxoethyl)octa-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-(4-Methylpent-3-en-1-yl)-pent-2-enedioyl-CoA KEGG COMPOUND
Isohexenyl-glutaconyl-CoA KEGG COMPOUND
Manual Xref Database
C01291 KEGG COMPOUND
View more database links
Last Modified
04 August 2014