CHEBI:140046 - oscr#36-CoA(4−)

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ChEBI Name oscr#36-CoA(4−)
ChEBI ID CHEBI:140046
ChEBI ASCII Name oscr#36-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#36-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 C47H80N7O21P3S
Net Charge -4
Average Mass 1204.162
Monoisotopic Mass 1203.43628
InChI InChI=1S/C47H84N7O21P3S/c1-32-33(55)27-34(56)46(72-32)69-25-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-37(58)79-26-24-49-36(57)22-23-50-44(61)41(60)47(2,3)29-71-78(67,68)75-77(65,66)70-28-35-40(74-76(62,63)64)39(59)45(73-35)54-31-53-38-42(48)51-30-52-43(38)54/h30-35,39-41,45-46,55-56,59-60H,4-29H2,1-3H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/p-4/t32-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1
InChIKey CTDISUDSHUNLOZ-LTSXADRNSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCC(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#36-CoA(4−) (CHEBI:140046) is a acyl-CoA(4−) (CHEBI:58342)
oscr#36-CoA(4−) (CHEBI:140046) is conjugate base of oscr#36-CoA (CHEBI:140045)
Incoming oscr#36-CoA (CHEBI:140045) is conjugate acid of oscr#36-CoA(4−) (CHEBI:140046)
Synonyms Sources
20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icosanoyl-CoA(4−) ChEBI
20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icosanoyl-coenzyme A(4−) ChEBI
oscr#36-coenzyme A(4−) ChEBI
Last Modified
19 February 2018