Concept information
Preferred term
(5Z,7E) (1S,3R) 1,3 dihydroxy 9,10 seco 5,7,10(19) cholestatrien 22 one
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C27H42O3
inchi
- InChI=1S/C27H42O3/c1-17(2)8-13-25(29)19(4)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)18(21)3/h9-10,17,19,22-24,26,28,30H,3,6-8,11-16H2,1-2,4-5H3/b20-9+,21-10-/t19-,22+,23+,24-,26-,27+/m0/s1
inchikey
- DXWGTJMCYINGNZ-IQSZEILRSA-N
mass
- 414.622
monoisotopicmass
- 414.31340
smiles
- [C@@H]1(C[C@@H](C/C(=C/C=C/2/CCC[C@]3([C@]2(CC[C@@]3([C@@](C(CCC(C)C)=O)(C)[H])[H])[H])C)/C1=C)O)O
subset
- 2_STAR
synonym RELATED
- 1alpha-hydroxy-22-oxocholecalciferol
- 1alpha-hydroxy-22-oxovitamin D3
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:137134
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