CHEBI:156249 - (E)-5-hydroxyferuloyl-CoA(4−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (E)-5-hydroxyferuloyl-CoA(4−)
ChEBI ID CHEBI:156249
ChEBI ASCII Name (E)-5-hydroxyferuloyl-CoA(4-)
Definition Tetraanion of (E)-5-hydroxyferuloyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C31H40N7O20P3S
Net Charge -4
Average Mass 955.670
Monoisotopic Mass 955.12836
InChI InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/b5-4+/t19-,24-,25-,26?,30-/m1/s1
InChIKey ILSPFIPSQSFPCN-HNSZETJFSA-J
SMILES [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC(C)(C(C(NCCC(NCCSC(/C=C/C4=CC(=C(C(=C4)O)O)OC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (E)-5-hydroxyferuloyl-CoA(4−) (CHEBI:156249) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
(E)-5-hydroxyferuloyl-CoA UniProt
Manual Xref Database
5-HYDROXY-FERULOYL-COA MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
26620524 PubMed citation SUBMITTER