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

ChEBI IDCHEBI:27393
ChEBI Name3α,7α-dihydroxy-5β-cholest-24-enoyl-CoA
Stars
ASCII Name3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA
Secondary ChEBI IDsCHEBI:1705, CHEBI:20230
Last Modified27 January 2016
DownloadsMolfile
FormulaC48H78N7O19P3S
Net Charge0
Average Mass1182.171
Monoisotopic Mass1181.42860
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@]([H])([C@]([H])(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]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/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
InChIKeySEBZZAWTQNNGPK-ZAVIOYSRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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-CoAKEGG COMPOUND
Manual XrefsDatabases
C05447KEGG COMPOUND