CHEBI:140052 - oscr#38-CoA(4−)

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ChEBI Name oscr#38-CoA(4−)
ChEBI ID CHEBI:140052
ChEBI ASCII Name oscr#38-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#38-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 C48H82N7O21P3S
Net Charge -4
Average Mass 1218.188
Monoisotopic Mass 1217.45193
InChI InChI=1S/C48H86N7O21P3S/c1-33-34(56)28-35(57)47(73-33)70-26-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-38(59)80-27-25-50-37(58)23-24-51-45(62)42(61)48(2,3)30-72-79(68,69)76-78(66,67)71-29-36-41(75-77(63,64)65)40(60)46(74-36)55-32-54-39-43(49)52-31-53-44(39)55/h31-36,40-42,46-47,56-57,60-61H,4-30H2,1-3H3,(H,50,58)(H,51,62)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-4/t33-,34+,35+,36+,40+,41+,42-,46+,47+/m0/s1
InChIKey BZTMDVZMLLOZOH-IQHOFBPQSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCCC(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#38-CoA(4−) (CHEBI:140052) is a acyl-CoA(4−) (CHEBI:58342)
oscr#38-CoA(4−) (CHEBI:140052) is conjugate base of oscr#38-CoA (CHEBI:140051)
Incoming oscr#38-CoA (CHEBI:140051) is conjugate acid of oscr#38-CoA(4−) (CHEBI:140052)
Synonyms Sources
21-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]henicosanoyl-CoA(4−) ChEBI
21-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]henicosanoyl-coenzyme A(4−) ChEBI
oscr#38-coenzyme A(4−) ChEBI
Last Modified
19 February 2018