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CHEBI:140006 - oscr#23-CoA(4−)

Default Structure
ChEBI IDCHEBI:140006
ChEBI Nameoscr#23-CoA(4−)
Stars
ASCII Nameoscr#23-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#23-CoA; major species at pH 7.3.
Last Modified23 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC41H66N7O21P3S
Net Charge-4
Average Mass1117.996
Monoisotopic Mass1117.32673
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C41H70N7O21P3S/c1-26-27(49)21-28(50)40(66-26)63-19-14-12-10-8-6-4-5-7-9-11-13-15-31(52)73-20-18-43-30(51)16-17-44-38(55)35(54)41(2,3)23-65-72(61,62)69-71(59,60)64-22-29-34(68-70(56,57)58)33(53)39(67-29)48-25-47-32-36(42)45-24-46-37(32)48/h13,15,24-29,33-35,39-40,49-50,53-54H,4-12,14,16-23H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b15-13+/t26-,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1
InChIKeyPAKGTMACELCLNY-RWZDZKQQSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#23-CoA(4−) (CHEBI:140006) is a acyl-CoA(4−) (CHEBI:58342)
oscr#23-CoA(4−) (CHEBI:140006) is conjugate base of oscr#23-CoA (CHEBI:140005)
Incoming Relation(s)
oscr#23-CoA (CHEBI:140005) is conjugate acid of oscr#23-CoA(4−) (CHEBI:140006)
Synonyms  Source
(2E)-14-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tetradec-2-enoyl-CoA(4−)ChEBI
(2E)-14-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tetradec-2-enoyl-coenzyme A(4−)ChEBI
oscr#23-coenzyme A(4−)ChEBI