CHEBI:140043 - oscr#35-CoA(4−)

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ChEBI Name oscr#35-CoA(4−)
ChEBI ID CHEBI:140043
ChEBI ASCII Name oscr#35-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#35-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 C47H78N7O21P3S
Net Charge -4
Average Mass 1202.146
Monoisotopic Mass 1201.42063
InChI InChI=1S/C47H82N7O21P3S/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/h19,21,30-35,39-41,45-46,55-56,59-60H,4-18,20,22-29H2,1-3H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/p-4/b21-19+/t32-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1
InChIKey OHCFXYRJFYDIDU-NDHIWMSKSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCC/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#35-CoA(4−) (CHEBI:140043) is a acyl-CoA(4−) (CHEBI:58342)
oscr#35-CoA(4−) (CHEBI:140043) is conjugate base of oscr#35-CoA (CHEBI:140042)
Incoming oscr#35-CoA (CHEBI:140042) is conjugate acid of oscr#35-CoA(4−) (CHEBI:140043)
Synonyms Sources
(2E)-20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icos-2-enoyl-CoA(4−) ChEBI
(2E)-20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icos-2-enoyl-coenzyme A(4−) ChEBI
oscr#35-coenzyme A(4−) ChEBI
Last Modified
20 February 2018