(Q27120801)

(23S)-23,25,26-trihydroxycholecalciferol (English)

6 October 2016

chemical formula

C₂₇H₄₄O₄

1 reference

(23S)-23,25,26-trihydroxycholecalciferol (English)

6 October 2016

canonical SMILES

CC(CC(CC(C)(CO)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

1 reference

(23S)-23,25,26-trihydroxycholecalciferol (English)

6 October 2016

isomeric SMILES

C[C@H](C[C@@H](CC(C)(CO)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

1 reference

Recon 2.2: from reconstruction to model of human metabolism

(23S)-23,25,26-trihydroxycholecalciferol (English)

6 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C27H44O4/c1-18-7-10-22(29)15-21(18)9-8-20-6-5-13-27(4)24(11-12-25(20)27)19(2)14-23(30)16-26(3,31)17-28/h8-9,19,22-25,28-31H,1,5-7,10-17H2,2-4H3/b20-8+,21-9-/t19-,22+,23+,24-,25+,26?,27-/m1/s1

1 reference

(23S)-23,25,26-trihydroxycholecalciferol (English)

GDIBDBUYVICGLY-VVFBGWIOSA-N

6 October 2016

InChIKey

2 references

(23S)-23,25,26-trihydroxycholecalciferol (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3S,5Z,7E,23S)-9,10-Secocholesta-5,7,10-triene-3,23,25,26-tetrol (English)

6 October 2016

1 reference

(23S)-23,25,26-trihydroxycholecalciferol (English)

6 October 2016

ChEBI ID

47803

mapping relation type

2 references

(23S)-23,25,26-trihydroxycalciol (English)