CHEBI:167102 - 6-methyl-3,7-dioxodecanedioyl-CoA(5−)

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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 6-methyl-3,7-dioxodecanedioyl-CoA(5−)
ChEBI ID CHEBI:167102
ChEBI ASCII Name 6-methyl-3,7-dioxodecanedioyl-CoA(5-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C32H45N7O21P3S
Net Charge -5
Average Mass 988.720
Monoisotopic Mass 988.16295
InChI InChI=1S/C32H50N7O21P3S/c1-17(19(41)6-7-22(43)44)4-5-18(40)12-23(45)64-11-10-34-21(42)8-9-35-30(48)27(47)32(2,3)14-57-63(54,55)60-62(52,53)56-13-20-26(59-61(49,50)51)25(46)31(58-20)39-16-38-24-28(33)36-15-37-29(24)39/h15-17,20,25-27,31,46-47H,4-14H2,1-3H3,(H,34,42)(H,35,48)(H,43,44)(H,52,53)(H,54,55)(H2,33,36,37)(H2,49,50,51)/p-5/t17?,20-,25-,26-,27+,31-/m1/s1
InChIKey AXSVBUFHIJJGAA-UKABSPJOSA-I
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(CCC(C(CCC([O-])=O)=O)C)=O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 6-methyl-3,7-dioxodecanedioyl-CoA(5−) (CHEBI:167102) is a acyl-CoA(4−) (CHEBI:58342)
Synonyms Sources
6-methyl-3,7-dioxodecanedioyl-CoA UniProt
MeDODA-CoA(5−) SUBMITTER
Manual Xref Database
CPD-21415 MetaCyc accession
View more database links
Citations Waiting for Citations Types Sources
28377529 PubMed citation SUBMITTER
29581275 PubMed citation SUBMITTER