(Q27102543)

1 February 2021

mass

402.349781±0 dalton

1 reference

26-Hydroxycholesterol (English)

5 October 2016

chemical formula

C₂₇H₄₆O₂

1 reference

26-Hydroxycholesterol (English)

5 October 2016

canonical SMILES

CC(CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)CO

1 reference

26-Hydroxycholesterol (English)

5 October 2016

isomeric SMILES

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

1 reference

Recon 2.2: from reconstruction to model of human metabolism

26-Hydroxycholesterol (English)

5 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

1 reference

26-Hydroxycholesterol (English)

FYHRJWMENCALJY-CCDZVGGQSA-N

5 October 2016

InChIKey

2 references

26-Hydroxycholesterol (English)

5 October 2016

stated in

ChEBI release 2020-09-01

2 references

26-hydroxycholesterol (English)

FYHRJWMENCALJY-CCDZVGGQSA-N

5 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=13095-61-9

1 reference

26-Hydroxycholesterol (English)

5 October 2016

1 reference

26-Hydroxycholesterol (English)

5 October 2016

Reaxys registry number

4708620

1 reference

26-hydroxycholesterol (English)

5 October 2016

ChEBI ID

17703

mapping relation type

1 reference

26-hydroxycholesterol (English)

5 October 2016

1 reference

CHEMBL3217768 (English)

5 October 2016

1 reference

0 references

1 reference

26-hydroxycholesterol (English)