CHEBI:15503 - 2,3-didehydropimeloyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3-didehydropimeloyl-CoA
ChEBI ID CHEBI:15503
Definition The S-(2,3-didehydropimeloyl) derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2174, CHEBI:12208, CHEBI:20707
Supplier Information ZINC000000901722
Download Molfile XML SDF
Formula C28H44N7O19P3S
Net Charge 0
Average Mass 907.67202
Monoisotopic Mass 907.16255
InChI InChI=1S/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23+,27-/m1/s1
InChIKey JLSPXYVUFSDGNY-UYRKPTJQSA-N
SMILES [H]C(CCCC(O)=O)=CC(=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 2,3-didehydropimeloyl-CoA (CHEBI:15503) has functional parent hept-2-enedioic acid (CHEBI:37260)
2,3-didehydropimeloyl-CoA (CHEBI:15503) has functional parent pimeloyl-CoA (CHEBI:15504)
2,3-didehydropimeloyl-CoA (CHEBI:15503) is a 2-enoyl-CoA (CHEBI:19573)
2,3-didehydropimeloyl-CoA (CHEBI:15503) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
2,3-didehydropimeloyl-CoA (CHEBI:15503) is conjugate acid of 2,3-didehydropimeloyl-CoA(5−) (CHEBI:57359)
Incoming 2,3-didehydropimeloyl-CoA(5−) (CHEBI:57359) is conjugate base of 2,3-didehydropimeloyl-CoA (CHEBI:15503)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2,3-Didehydro-pimeloyl-CoA KEGG COMPOUND
6-Carboxyhex-2-enoyl-CoA KEGG COMPOUND
Manual Xrefs Databases
c0219 UM-BBD
C06723 KEGG COMPOUND
View more database links
Last Modified
05 February 2018