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CHEBI:87700 - (24E)-3α,7α-dihydroxy-5β-cholest-24-en-26-oyl-CoA(4−)
| Formula | C48H74N7O19P3S |
| Net Charge | -4 |
| Average Mass | 1178.139 |
| Monoisotopic Mass | 1177.39950 |
| 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=C(\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 |
| InChI | InChI=1S/C48H78N7O19P3S/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/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-4/b27-9+/t26-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1 |
| InChIKey | SEBZZAWTQNNGPK-RDYMGNODSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (24E)-3α,7α-dihydroxy-5β-cholest-24-en-26-oyl-CoA(4−) (CHEBI:87700) is a steroidal acyl-CoA(4−) (CHEBI:131622) |
| (24E)-3α,7α-dihydroxy-5β-cholest-24-en-26-oyl-CoA(4−) (CHEBI:87700) is conjugate base of (24E)-3α,7α-dihydroxy-5β-cholest-24-en-26-oyl-CoA (CHEBI:88064) |
| Incoming Relation(s) |
| (24E)-3α,7α-dihydroxy-5β-cholest-24-en-26-oyl-CoA (CHEBI:88064) is conjugate acid of (24E)-3α,7α-dihydroxy-5β-cholest-24-en-26-oyl-CoA(4−) (CHEBI:87700) |
| Synonym | Source |
|---|---|
| (24E)-3α,7α-dihydroxy-5β-cholest-24-en-26-oyl-coenzyme A(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| (24E)-3α,7α-dihydroxy-5β-cholest-24-en-26-oyl-CoA | UniProt |
| Citations |
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