(Q27132322)

Chenodeoxycholoyl-CoA (English)

retrieved

7 October 2016

isomeric SMILES

C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Chenodeoxycholoyl-CoA (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t24-,25+,26-,27-,28+,29+,30-,31-,34+,36-,37-,38+,42-,44+,45-/m1/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

IIWDDMINEZBCTG-RUAADODMSA-J

2 references

Chenodeoxycholoyl-CoA (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[[(3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphi (English)

7 October 2016

1 reference