CHEBI:140003 - oscr#22-CoA(4−)

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ChEBI Name oscr#22-CoA(4−)
ChEBI ID CHEBI:140003
ChEBI ASCII Name oscr#22-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#22-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 C40H66N7O21P3S
Net Charge -4
Average Mass 1105.975
Monoisotopic Mass 1105.32673
InChI InChI=1S/C40H70N7O21P3S/c1-25-26(48)20-27(49)39(65-25)62-18-13-11-9-7-5-4-6-8-10-12-14-30(51)72-19-17-42-29(50)15-16-43-37(54)34(53)40(2,3)22-64-71(60,61)68-70(58,59)63-21-28-33(67-69(55,56)57)32(52)38(66-28)47-24-46-31-35(41)44-23-45-36(31)47/h23-28,32-34,38-39,48-49,52-53H,4-22H2,1-3H3,(H,42,50)(H,43,54)(H,58,59)(H,60,61)(H2,41,44,45)(H2,55,56,57)/p-4/t25-,26+,27+,28+,32+,33+,34-,38+,39+/m0/s1
InChIKey DTVLDKUERDZHEY-CHHPSRDKSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC(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#22-CoA(4−) (CHEBI:140003) is a acyl-CoA(4−) (CHEBI:58342)
oscr#22-CoA(4−) (CHEBI:140003) is conjugate base of oscr#22-CoA (CHEBI:140002)
Incoming oscr#22-CoA (CHEBI:140002) is conjugate acid of oscr#22-CoA(4−) (CHEBI:140003)
Synonyms Sources
13-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tridecanoyl-CoA(4−) ChEBI
13-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tridecanoyl-coenzyme A(4−) ChEBI
oscr#22-coenzyme A(4−) ChEBI
Last Modified
23 February 2018