CHEBI:140060 - oscr#9-CoA(4−)

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ChEBI Name oscr#9-CoA(4−)
ChEBI ID CHEBI:140060
ChEBI ASCII Name oscr#9-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#9-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C32H50N7O21P3S
Net Charge -4
Average Mass 993.762
Monoisotopic Mass 993.20153
InChI InChI=1S/C32H54N7O21P3S/c1-17-18(40)12-19(41)31(57-17)54-10-5-4-6-22(43)64-11-9-34-21(42)7-8-35-29(46)26(45)32(2,3)14-56-63(52,53)60-62(50,51)55-13-20-25(59-61(47,48)49)24(44)30(58-20)39-16-38-23-27(33)36-15-37-28(23)39/h15-20,24-26,30-31,40-41,44-45H,4-14H2,1-3H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-4/t17-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
InChIKey OJJVYBQJWBBERR-XKGQWQQESA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCCCO[C@@H]4O[C@@H](C)[C@@H](C[C@H]4O)O)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing oscr#9-CoA(4−) (CHEBI:140060) is a acyl-CoA(4−) (CHEBI:58342)
oscr#9-CoA(4−) (CHEBI:140060) is conjugate base of oscr#9-CoA (CHEBI:140059)
Incoming oscr#9-CoA (CHEBI:140059) is conjugate acid of oscr#9-CoA(4−) (CHEBI:140060)
Synonyms Sources
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentanoyl-CoA(4−) ChEBI
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentanoyl-coenzyme A(4−) ChEBI
asc-ωC5-CoA UniProt
oscr#9-coenzyme A ChEBI
Last Modified
01 December 2020