← Back

Name: (R,S)-3-hydroxy-7,8-epoxyoctanoyl CoA

IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxy-6-[(2S)-oxiran-2-yl]hexanethioate

SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCC[C@H]1CO1

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CCCC4CO4)O)O

Summenformel: C29H48N7O19P3S

Molare Masse: 923.70

InChIKey: ZLVHZXIKLPVOLB-RCVTUDNSSA-N

InChI: InChI=1S/C29H48N7O19P3S/c1-29(2,24(41)27(42)32-7-6-19(38)31-8-9-59-20(39)10-16(37)4-3-5-17-11-50-17)13-52-58(48,49)55-57(46,47)51-12-18-23(54-56(43,44)45)22(40)28(53-18)36-15-35-21-25(30)33-14-34-26(21)36/h14-18,22-24,28,37,40-41H,3-13H2,1-2H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t16-,17+,18-,22-,23-,24+,28-/m1/s1

PubChem CID: 86590092 →

Synonyme

SCHEMBL6139256ZLVHZXIKLPVOLB-RCVTUDNSSA-N(R,S)-3-hydroxy-7,8-epoxyoctanoyl CoA(R,S)-3-Hydroxy-7,8-epoxyoctanoyl-CoA

An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→