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CHEBI:81018 - (25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA

ChEBI IDCHEBI:81018
ChEBI Name(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA
Stars
DownloadsMolfile
FormulaC48H80N7O19P3S
Net Charge0
Average Mass1184.187
Monoisotopic Mass1183.44425
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26-,27-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40?,44-,47+,48-/m1/s1
InChIKeySBYLHTNKEWSLBA-DBKRGOFUSA-N
ChEBI Ontology
Outgoing Relation(s)
(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA (CHEBI:81018) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C17345KEGG COMPOUND