CHEBI:142398 - trans-2,4-dihydroxy-cinnamoyl-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 trans-2,4-dihydroxy-cinnamoyl-CoA(4−)
ChEBI ID CHEBI:142398
ChEBI ASCII Name trans-2,4-dihydroxy-cinnamoyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H38N7O19P3S
Net Charge -4
Average Mass 925.650
Monoisotopic Mass 925.11780
InChI InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)11-18(16)39)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-4/b6-4+/t19-,23-,24-,25+,29-/m1/s1
InChIKey PGFXNMKOJHFQIE-ZSELIEHESA-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)/C=C/C=4C(=CC(=CC4)O)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing trans-2,4-dihydroxy-cinnamoyl-CoA(4−) (CHEBI:142398) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
(E)-2,4-dihydroxycinnamoyl-CoA UniProt
Manual Xref Database
CPD-14010 MetaCyc accession
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