CHEBI:15478 - 2-methylcrotonoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methylcrotonoyl-CoA
ChEBI ID CHEBI:15478
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10949, CHEBI:11619, CHEBI:1199, CHEBI:1204, CHEBI:19691, CHEBI:19697
Supplier Information ChemicalBook:CB9388222, eMolecules:492637, eMolecules:26753504, ZINC000006072466
Download Molfile XML SDF
Formula C26H42N7O17P3S
Net Charge 0
Average Mass 849.63594
Monoisotopic Mass 849.15708
InChI InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b14-5+/t15-,18-,19-,20+,24-/m1/s1
InChIKey PMWATMXOQQZNBX-DKBZLLMOSA-N
SMILES C\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
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 2-methylcrotonoyl-CoA (CHEBI:15478) has functional parent but-2-enoyl-CoA (CHEBI:36926)
2-methylcrotonoyl-CoA (CHEBI:15478) has functional parent tiglic acid (CHEBI:9592)
2-methylcrotonoyl-CoA (CHEBI:15478) is a 2-enoyl-CoA (CHEBI:19573)
2-methylcrotonoyl-CoA (CHEBI:15478) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
2-methylcrotonoyl-CoA (CHEBI:15478) is conjugate acid of 2-methylcrotonoyl-CoA(4−) (CHEBI:57337)
Incoming 2-methylcrotonoyl-CoA(4−) (CHEBI:57337) is conjugate base of 2-methylcrotonoyl-CoA (CHEBI:15478)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-2-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(E)-2-Methylcrotonoyl-CoA KEGG COMPOUND
2-Methylcrotanoyl-CoA KEGG COMPOUND
2-Methylcrotanoyl-CoA KEGG COMPOUND
Methylcrotonoyl-CoA KEGG COMPOUND
Methylcrotonyl-CoA KEGG COMPOUND
Tigloyl-CoA KEGG COMPOUND
Tiglyl-CoA KEGG COMPOUND
trans-2-Methylbut-2-enoyl-CoA KEGG COMPOUND
Manual Xref Database
C03345 KEGG COMPOUND
View more database links
Last Modified
05 February 2018