(Q27132826)

CHEBI:63823 (English)

7 October 2016

chemical formula

C₂₇H₄₅O₆⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC(C(C)C(=O)[O-])O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

1 reference

CHEBI:63823 (English)

7 October 2016

isomeric SMILES

C[C@H](CCC(C(C)C(=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

CHEBI:63823 (English)

InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/p-1/t14-,15?,16+,17-,18-,19+,20+,21?,22-,23+,24+,26+,27-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:63823 (English)

FAYYTQMQTAKHRM-QDVPYJSNSA-M

7 October 2016

InChIKey

2 references

CHEBI:63823 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3a,7a,12a,24-Tetrahydroxy-5b-cholestan-26-oate (English)

7 October 2016

1 reference

CHEBI:63823 (English)

7 October 2016

ChEBI ID

63823

mapping relation type

1 reference