chapso (Q27452253)

AC1L3U2P (English)

19 October 2016

C₃₂H₅₉N₂O₈S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

1 reference

AC1L3U2P (English)

19 October 2016

C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

1 reference

InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1

AC1L3U2P (English)

retrieved

19 October 2016

Identifiers

InChI

1 reference

GUQQBLRVXOUDTN-XOHPMCGNSA-O

AC1L3U2P (English)

19 October 2016

1 reference

AC1L3U2P (English)

19 October 2016

1 reference

2-Hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)-1-propanaminium (English)

19 October 2016

2 references

matched by identifier from

AC1L3U2P (English)

retrieved

19 October 2016

InChIKey

GUQQBLRVXOUDTN-XOHPMCGNSA-O

1 reference

0 references

1 reference

4JYD (English)

19 October 2016

1 reference

4JY9 (English)

19 October 2016

1 reference

4JYF (English)

19 October 2016

1 reference

4JYE (English)

19 October 2016

1 reference

4QE3 (English)

19 October 2016

1 reference