CHEBI:139967 - oscr#10-CoA(4−)

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ChEBI Name oscr#10-CoA(4−)
ChEBI ID CHEBI:139967
ChEBI ASCII Name oscr#10-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#10-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C36H58N7O21P3S
Net Charge -4
Average Mass 1049.869
Monoisotopic Mass 1049.26413
InChI InChI=1S/C36H62N7O21P3S/c1-21-22(44)16-23(45)35(61-21)58-14-9-7-5-4-6-8-10-26(47)68-15-13-38-25(46)11-12-39-33(50)30(49)36(2,3)18-60-67(56,57)64-66(54,55)59-17-24-29(63-65(51,52)53)28(48)34(62-24)43-20-42-27-31(37)40-19-41-32(27)43/h19-24,28-30,34-35,44-45,48-49H,4-18H2,1-3H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/p-4/t21-,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1
InChIKey UYLBZZOCHBVQEC-JZHPBSJXSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O
ChEBI Ontology
Outgoing oscr#10-CoA(4−) (CHEBI:139967) is a acyl-CoA(4−) (CHEBI:58342)
oscr#10-CoA(4−) (CHEBI:139967) is conjugate base of oscr#10-CoA (CHEBI:139966)
Incoming oscr#10-CoA (CHEBI:139966) is conjugate acid of oscr#10-CoA(4−) (CHEBI:139967)
Synonyms Sources
9-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonanoyl-CoA(4−) ChEBI
9-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonanoyl-coenzyme A(4−) ChEBI
oscr#10-coenzyme A(4−) ChEBI
Last Modified
01 December 2020