InChI=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 |
SBYLHTNKEWSLBA-UVNMPUASSA-N |
[H] [C@@] (C) (CCCC(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 |
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Mus musculus
(NCBI:txid10090)
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Source: BioModels - MODEL1507180067
See:
PubMed
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Homo sapiens
(NCBI:txid9606)
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See:
DOI
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acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
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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).
bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
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View more via ChEBI Ontology
3'- phosphoadenosine 5'- {3- [(3R)- 4- {[3- ({2- [(3α,7α- dihydroxy- 5β- cholestan- 26- oyl)sulfanyl]ethyl}amino)- 3- oxopropyl]amino}- 3- hydroxy- 2,2- dimethyl- 4- oxobutyl] dihydrogen diphosphate}
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3α,7α-dihydroxy-5β-cholestan-26-oyl-coenzyme A
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ChEBI
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3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA
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KEGG COMPOUND
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3183523
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PubMed citation
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Europe PMC
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