(Q27158645)

CHEBI:85576 (English)

9 October 2016

chemical formula

C₁₉H₂₆O₄

1 reference

CHEBI:85576 (English)

9 October 2016

canonical SMILES

CC1=C(C(=C(C=C1)O)O)CCC2C3CCC(C3(CCC2=O)C)O

1 reference

CHEBI:85576 (English)

9 October 2016

isomeric SMILES

CC1=C(C(=C(C=C1)O)O)CCC2[C@@H]3CCC([C@]3(CCC2=O)C)O

1 reference

CHEBI:85576 (English)

Mycobacterium tuberculosis

9 October 2016

found in taxon

1 reference

stated in

A flavin-dependent monooxygenase from Mycobacterium tuberculosis involved in cholesterol catabolism

Identifiers

InChI

InChI=1S/C19H26O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,17,21-23H,4-6,8-10H2,1-2H3/t13?,14-,17?,19-/m0/s1

1 reference

CHEBI:85576 (English)

XRMKFJVUFYGENU-AYSYYIBYSA-N

9 October 2016

InChIKey

2 references

CHEBI:85576 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8xi)-3,4,17-Trihydroxy-9,10-secoandrosta-1,3,5(10)-trien-9-one (English)

9 October 2016

2 references

CHEBI:85576 (English)

matched by identifier from

9 October 2016

InChIKey

XRMKFJVUFYGENU-AYSYYIBYSA-N

ChEBI ID

85576

mapping relation type

2 references

3,4,17-trihydroxy-9,10-seconandrost-1,3,5(10)-triene-9-one (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H26O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,17,21-23H,4-6,8-10H2,1-2H3/t13?,14-,17?,19-/m0/s1

1 reference

2 references

https://www.swisslipids.org/#/downloads