5beta-cholestane-3alpha,7alpha-diol (Q27103477)

5beta-cholestane-3alpha,7alpha-diol (English)

5 October 2016

stereoisomer of

5α-cholestane-3β,7α-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₈O₂

1 reference

5beta-cholestane-3alpha,7alpha-diol (English)

5 October 2016

canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

1 reference

5beta-cholestane-3alpha,7alpha-diol (English)

5 October 2016

isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

1 reference

Recon 2.2: from reconstruction to model of human metabolism

5beta-cholestane-3alpha,7alpha-diol (English)

5 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

1 reference

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

Identifiers

InChI

InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1

1 reference

5beta-cholestane-3alpha,7alpha-diol (English)

APYVEUGLZHAHDJ-TVRYRFOISA-N

5 October 2016

InChIKey

2 references

5beta-cholestane-3alpha,7alpha-diol (English)

5 October 2016

stated in

ChEBI release 2020-09-01

2 references

5beta-cholestane-3alpha,7alpha-diol (English)

APYVEUGLZHAHDJ-TVRYRFOISA-N

5 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=3862-26-8

1 reference

(3alpha,5beta,7alpha)-Cholestane-3,7-diol (English)

5 October 2016

1 reference

5beta-cholestane-3alpha,7alpha-diol (English)

5 October 2016

ChEBI ID

28047

mapping relation type

1 reference