CHEBI:140006 - oscr#23-CoA(4−)

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ChEBI Name oscr#23-CoA(4−)
ChEBI ID CHEBI:140006
ChEBI ASCII Name oscr#23-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#23-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information
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Formula C41H66N7O21P3S
Net Charge -4
Average Mass 1117.986
Monoisotopic Mass 1117.32673
InChI InChI=1S/C41H70N7O21P3S/c1-26-27(49)21-28(50)40(66-26)63-19-14-12-10-8-6-4-5-7-9-11-13-15-31(52)73-20-18-43-30(51)16-17-44-38(55)35(54)41(2,3)23-65-72(61,62)69-71(59,60)64-22-29-34(68-70(56,57)58)33(53)39(67-29)48-25-47-32-36(42)45-24-46-37(32)48/h13,15,24-29,33-35,39-40,49-50,53-54H,4-12,14,16-23H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b15-13+/t26-,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1
InChIKey PAKGTMACELCLNY-RWZDZKQQSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C(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#23-CoA(4−) (CHEBI:140006) is a acyl-CoA(4−) (CHEBI:58342)
oscr#23-CoA(4−) (CHEBI:140006) is conjugate base of oscr#23-CoA (CHEBI:140005)
Incoming oscr#23-CoA (CHEBI:140005) is conjugate acid of oscr#23-CoA(4−) (CHEBI:140006)
Synonyms Sources
(2E)-14-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tetradec-2-enoyl-CoA(4−) ChEBI
(2E)-14-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tetradec-2-enoyl-coenzyme A(4−) ChEBI
oscr#23-coenzyme A(4−) ChEBI
Last Modified
23 February 2018