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CHEBI:140024 - oscr#29-CoA(4−)

ChEBI IDCHEBI:140024
ChEBI Nameoscr#29-CoA(4−)
Stars
ASCII Nameoscr#29-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#29-CoA; major species at pH 7.3.
Last Modified20 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC44H72N7O21P3S
Net Charge-4
Average Mass1160.077
Monoisotopic Mass1159.37368
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCC/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/C44H76N7O21P3S/c1-29-30(52)24-31(53)43(69-29)66-22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-34(55)76-23-21-46-33(54)19-20-47-41(58)38(57)44(2,3)26-68-75(64,65)72-74(62,63)67-25-32-37(71-73(59,60)61)36(56)42(70-32)51-28-50-35-39(45)48-27-49-40(35)51/h16,18,27-32,36-38,42-43,52-53,56-57H,4-15,17,19-26H2,1-3H3,(H,46,54)(H,47,58)(H,62,63)(H,64,65)(H2,45,48,49)(H2,59,60,61)/p-4/b18-16+/t29-,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1
InChIKeyPNUYOAIQMPSVSF-FVITZMBHSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#29-CoA(4−) (CHEBI:140024) is a acyl-CoA(4−) (CHEBI:58342)
oscr#29-CoA(4−) (CHEBI:140024) is conjugate base of oscr#29-CoA (CHEBI:140023)
Incoming Relation(s)
oscr#29-CoA (CHEBI:140023) is conjugate acid of oscr#29-CoA(4−) (CHEBI:140024)
Synonyms  Source
oscr#29-coenzyme A(4−)ChEBI
(2E)-17-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptadec-2-enoyl-CoA(4−)ChEBI
(2E)-17-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptadec-2-enoyl-coenzyme A(4−)ChEBI