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CHEBI:137668 - β-muricholoyl-CoA(4−)

ChEBI IDCHEBI:137668
ChEBI Nameβ-muricholoyl-CoA(4−)
Stars
ASCII Namebeta-muricholoyl-CoA(4-)
DefinitionA steroidal acyl-CoA(4−) obtained by deprotonation of phosphate and diphosphate functions of β-muricholoyl-CoA; major species at pH 7.3.
Last Modified4 September 2017
Submitternhn
DownloadsMolfile
FormulaC45H70N7O20P3S
Net Charge-4
Average Mass1154.073
Monoisotopic Mass1153.36311
SMILES[H][C@]1([C@]([H])(C)CCC(=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-])CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@H](O)[C@H](O)[C@@]21[H]
InChIInChI=1S/C45H74N7O20P3S/c1-23(25-7-8-26-32-27(11-14-44(25,26)4)45(5)13-10-24(53)18-28(45)34(56)35(32)57)6-9-31(55)76-17-16-47-30(54)12-15-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-29-37(71-73(61,62)63)36(58)42(70-29)52-22-51-33-39(46)49-21-50-40(33)52/h21-29,32,34-38,42,53,56-59H,6-20H2,1-5H3,(H,47,54)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/p-4/t23-,24-,25-,26+,27+,28+,29-,32+,34+,35-,36-,37-,38+,42-,44-,45-/m1/s1
InChIKeyGGOBJYLDOQWHDT-TWQBTYDKSA-J
ChEBI Ontology
Outgoing Relation(s)
β-muricholoyl-CoA(4−) (CHEBI:137668) is a steroidal acyl-CoA(4−) (CHEBI:131622)
β-muricholoyl-CoA(4−) (CHEBI:137668) is conjugate base of β-muricholoyl-CoA (CHEBI:138378)
Incoming Relation(s)
β-muricholoyl-CoA (CHEBI:138378) is conjugate acid of β-muricholoyl-CoA(4−) (CHEBI:137668)
Synonym  Source
β-muricholoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
β-muricholoyl-CoAUniProt
Citations