CHEBI:144823 - (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carbonyl-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 (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4−)
ChEBI ID CHEBI:144823
ChEBI ASCII Name (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C28H38N7O19P3S
Net Charge -4
Average Mass 901.630
Monoisotopic Mass 901.11780
InChI InChI=1S/C28H42N7O19P3S/c1-28(2,22(40)25(41)31-6-5-18(38)30-7-8-58-27(42)14-3-4-15(36)16(37)9-14)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)35-13-34-19-23(29)32-12-33-24(19)35/h3-4,9,12-13,15-17,20-22,26,36-37,39-40H,5-8,10-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-4/t15-,16-,17-,20-,21-,22+,26-/m1/s1
InChIKey IVBQPDODGZRFEX-VMLLLTOESA-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=4C=C[C@H]([C@@H](C4)O)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4−) (CHEBI:144823) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carbonyl-CoA UniProt
Manual Xref Database
CPD-22104 MetaCyc accession
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Citation Waiting for Citations Type Source
8955309 PubMed citation SUBMITTER