3alpha,7alpha-dihydroxy-5beta-cholestan-26-al (Q27103124)

3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al (English)

5 October 2016

chemical formula

C₂₇H₄₆O₃

1 reference

3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al (English)

5 October 2016

canonical SMILES

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

1 reference

3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al (English)

5 October 2016

isomeric SMILES

C[C@H](CCCC(C)C=O)[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

3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al (English)

5 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1

1 reference

3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al (English)

YWGOKHMOJTZGBN-UGMUFZQESA-N

5 October 2016

InChIKey

2 references

3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3alpha,5beta,7alpha)-3,7-Dihydroxycholestan-26-al (English)

5 October 2016

1 reference

3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al (English)

5 October 2016

ChEBI ID

27428

mapping relation type

2 references

3alpha,7alpha-dihydroxy-5beta-cholestan-26-al (English)

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

5 October 2016

stated in

ChEBI release 2019-10-02

1 reference

0 references

1 reference