CHEBI:146003 - julichrome Q6-6(1−)

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ChEBI Name julichrome Q6-6(1−)
ChEBI ID CHEBI:146003
ChEBI ASCII Name julichrome Q6-6(1-)
Definition A phenolate anion resulting from the deprotonation of the hydroxy group on the middle ring of one of the two dihydroanthracene groups of julichrome Q6-6. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C38H37O12
Net Charge -1
Average Mass 685.703
Monoisotopic Mass 685.22905
InChI InChI=1S/C38H38O12/c1-15(49-17(3)39)31-23-11-19-7-9-21(33(43)27(19)35(45)29(23)25(41)13-37(31,5)47)22-10-8-20-12-24-30(36(46)28(20)34(22)44)26(42)14-38(6,48)32(24)16(2)50-18(4)40/h7-12,15-16,31-32,43-48H,13-14H2,1-6H3/p-1/t15-,16-,31-,32-,37+,38+/m1/s1
InChIKey UYEWMDUNNUBCMC-WJUADSEPSA-M
SMILES C1(=C(C=CC2=C1C(=C3C(=C2)[C@]([C@@](CC3=O)(C)O)([C@@H](C)OC(C)=O)[H])O)C4=C(C5=C(C=C4)C=C6C(=C5[O-])C(C[C@]([C@@]6([C@@H](C)OC(C)=O)[H])(C)O)=O)O)O
ChEBI Ontology
Outgoing julichrome Q6-6(1−) (CHEBI:146003) is a phenolate anion (CHEBI:50525)
julichrome Q6-6(1−) (CHEBI:146003) is conjugate base of julichrome Q6-6 (CHEBI:145987)
Incoming julichrome Q6-6 (CHEBI:145987) is conjugate acid of julichrome Q6-6(1−) (CHEBI:146003)
IUPAC Name
(5S,5'S,6S,6'S)-5,5'-bis[(1R)-1-acetoxyethyl]-1,1',6,6',9'-pentahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',6,6',7,7',8,8'-octahydro[2,2'-bianthracen]-9-olate
Synonym Source
julichrome Q6-6 UniProt
Citations Waiting for Citations Types Sources
24746278 PubMed citation Europe PMC
31135188 PubMed citation Europe PMC
Last Modified
07 February 2020