CHEBI:27393 - 3α,7α-dihydroxy-5β-cholest-24-enoyl-CoA

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ChEBI Name 3α,7α-dihydroxy-5β-cholest-24-enoyl-CoA
ChEBI ID CHEBI:27393
ChEBI ASCII Name 3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1705, CHEBI:20230
Supplier Information
Download Molfile XML SDF
Formula C48H78N7O19P3S
Net Charge 0
Average Mass 1182.15500
Monoisotopic Mass 1181.42861
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)/t26-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1
InChIKey SEBZZAWTQNNGPK-ZAVIOYSRSA-N
SMILES [H][C@@](C)(CCC=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Metabolite of Species Details
Mus musculus (NCBI:txidtxid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txidtxid9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3α,7α-dihydroxy-5β-cholest-24-enoyl-CoA (CHEBI:27393) has role human metabolite (CHEBI:77746)
3α,7α-dihydroxy-5β-cholest-24-enoyl-CoA (CHEBI:27393) has role mouse metabolite (CHEBI:75771)
3α,7α-dihydroxy-5β-cholest-24-enoyl-CoA (CHEBI:27393) is a steroidal acyl-CoA (CHEBI:52135)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3α,7α-dihydroxy-5β-cholest-24-en-26-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym Source
3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA KEGG COMPOUND
Manual Xref Database
C05447 KEGG COMPOUND
View more database links
Last Modified
27 January 2016