CHEBI:34453 - 5-Carboxy-2-pentenoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-Carboxy-2-pentenoyl-CoA
ChEBI ID CHEBI:34453
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H42N7O19P3S
Net Charge 0
Average Mass 893.646
Monoisotopic Mass 893.14690
InChI InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4+/t15-,20-,21-,22?,26-/m1/s1
InChIKey ZFXICKRXPZTFPB-UWIQVNQSSA-N
SMILES CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
ChEBI Ontology
Outgoing 5-Carboxy-2-pentenoyl-CoA (CHEBI:34453) is a polyol (CHEBI:26191)
Synonym Source
5-Carboxy-2-pentenoyl-CoA KEGG COMPOUND
Manual Xref Database
C14144 KEGG COMPOUND
View more database links
Registry Number Type Source
138149-18-5 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016