CHEBI:140639 - dihydro-4-coumaroyl-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 dihydro-4-coumaroyl-CoA(4−)
ChEBI ID CHEBI:140639
ChEBI ASCII Name dihydro-4-coumaroyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H40N7O18P3S
Net Charge -4
Average Mass 911.663
Monoisotopic Mass 911.13853
InChI InChI=1S/C30H44N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-4,6-7,15-16,19,23-25,29,38,41-42H,5,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t19-,23-,24-,25+,29-/m1/s1
InChIKey KGYNXBHEANIYOS-FUEUKBNZSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCC=4C=CC(=CC4)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing dihydro-4-coumaroyl-CoA(4−) (CHEBI:140639) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
dihydro-4-coumaroyl-CoA UniProt
Manual Xref Database
CPD-12449 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
25152451 PubMed citation SUBMITTER