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Substance Name: Deoxycholyltyrosine
RN: 103528-66-1
InChIKey: NABZNAJLBCRTJM-LGNREMODSA-N

Molecular Weight

  • 555.751
 
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Names and Synonyms

  • Deoxycholyltyrosine

Registry Numbers

CAS Registry Number

  • 103528-66-1

System Generated Number

  • 0103528661

Structure Descriptors

InChI

1S/C33H49NO6/c1-19(4-13-30(38)34-28(31(39)40)16-20-5-8-22(35)9-6-20)25-11-12-26-24-10-7-21-17-23(36)14-15-32(21,2)27(24)18-29(37)33(25,26)3/h5-6,8-9,19,21,23-29,35-37H,4,7,10-18H2,1-3H3,(H,34,38)(H,39,40)/t19-,21-,23-,24?,25-,26?,27?,28+,29+,32+,33-/m1/s1

InChIKey

NABZNAJLBCRTJM-LGNREMODSA-N

Smiles

C([C@@H](NC(CC[C@H]([C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@@]4([C@@H]3C[C@@H]([C@@]12C)O)C)O)C)=O)Cc1ccc(O)cc1)(=O)O