CHEBI:140040 - oscr#34-CoA(4−)

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ChEBI Name oscr#34-CoA(4−)
ChEBI ID CHEBI:140040
ChEBI ASCII Name oscr#34-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#34-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 C46H78N7O21P3S
Net Charge -4
Average Mass 1190.135
Monoisotopic Mass 1189.42063
InChI InChI=1S/C46H82N7O21P3S/c1-31-32(54)26-33(55)45(71-31)68-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-36(57)78-25-23-48-35(56)21-22-49-43(60)40(59)46(2,3)28-70-77(66,67)74-76(64,65)69-27-34-39(73-75(61,62)63)38(58)44(72-34)53-30-52-37-41(47)50-29-51-42(37)53/h29-34,38-40,44-45,54-55,58-59H,4-28H2,1-3H3,(H,48,56)(H,49,60)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/p-4/t31-,32+,33+,34+,38+,39+,40-,44+,45+/m0/s1
InChIKey SYFCNFVPUJTCLL-OTIHBAEMSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCC(=O)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
ChEBI Ontology
Outgoing oscr#34-CoA(4−) (CHEBI:140040) is a acyl-CoA(4−) (CHEBI:58342)
oscr#34-CoA(4−) (CHEBI:140040) is conjugate base of oscr#34-CoA (CHEBI:140039)
Incoming oscr#34-CoA (CHEBI:140039) is conjugate acid of oscr#34-CoA(4−) (CHEBI:140040)
Synonyms Sources
19-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonadecanoyl-CoA(4−) ChEBI
19-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonadecanoyl-coenzyme A(4−) ChEBI
oscr#34-coenzyme A(4−) ChEBI
Last Modified
20 February 2018