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CHEBI:87702 - (24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA(4−)

ChEBI IDCHEBI:87702
ChEBI Name(24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA(4−)
Stars
ASCII Name(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of phosphate and diphosphate OH groups of (24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA; major species at pH 7.3.
Last Modified19 May 2016
Submitternhn
DownloadsMolfile
FormulaC48H76N7O20P3S
Net Charge-4
Average Mass1196.154
Monoisotopic Mass1195.41006
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@]([H])([C@]([H])(C)CC[C@@H](O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4OP(=O)([O-])[O-])CC[C@@]3([H])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26-,27+,28-,29-,30+,31+,32-,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1
InChIKeySZBMUAIJWNJARR-UIZKVWQNSA-J
ChEBI Ontology
Outgoing Relation(s)
(24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA(4−) (CHEBI:87702) is a steroidal acyl-CoA(4−) (CHEBI:131622)
(24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA(4−) (CHEBI:87702) is conjugate base of (24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA (CHEBI:88065)
Incoming Relation(s)
(24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA (CHEBI:88065) is conjugate acid of (24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA(4−) (CHEBI:87702)
Synonym  Source
(24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(24R,25R)-3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoAUniProt
Citations