(Q27139697)

Gene Ontology release 2019-11-16

(25S)-Delta(4)-dafachronate metabolic process

subject has role

participant

1 reference

Gene Ontology release 2019-11-16

cholest-4-en-3-one 26-monooxygenase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

mass

413.306±0 dalton

1 reference

(25S)-3-oxocholest-4-en-26-oate (English)

(25R)-Delta(4)-dafachronate

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₁O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCCC(C)C(=O)[O-])C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

1 reference

(25S)-3-oxocholest-4-en-26-oate (English)

7 October 2016

isomeric SMILES

C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

1 reference

(25S)-3-oxocholest-4-en-26-oate (English)

InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/p-1/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

(25S)-3-oxocholest-4-en-26-oate (English)

PSXQJZDFWDKBIP-KMPPVSSLSA-M

7 October 2016

InChIKey

2 references

(25S)-3-oxocholest-4-en-26-oate (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(25S)-3-Oxocholest-4-en-26-oate (English)

7 October 2016

1 reference

(25S)-3-oxocholest-4-en-26-oate (English)

7 October 2016

ChEBI ID

71541

mapping relation type

1 reference