CHEBI:47828 - calcitroic acid

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ChEBI Name calcitroic acid ChEBI ID CHEBI:47828 Definition A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group and the C-23/C-27 unit is replaced by a carboxy group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C23H34O4 Net Charge 0 Average Mass 374.51366 Monoisotopic Mass 374.24571 InChI InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1 InChIKey MBLYZRMZFUWLOZ-ZTIKAOTBSA-N SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC(O)=O ChEBI Ontology Outgoing calcitroic acid (CHEBI:47828) is a hydroxycalciol (CHEBI:47042) calcitroic acid (CHEBI:47828) is conjugate acid of calcitroate (CHEBI:58715) Incoming calcitroate (CHEBI:58715) is conjugate base of calcitroic acid (CHEBI:47828) IUPAC Name (1S,3R,5Z,7E)-1,3-dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-oic acid Synonyms Sources 1α,3β-dihydroxy-9,10-seco-24-nor-5,7,10(19)-cholatrien-23-oic acid ChEBI 1alpha-Hydroxy-23-carboxytetranorvitamin D ChemIDplus 1α-hydroxy-24,25,26,27-tetranorvitamin D3 23-carboxylic acid LIPID MAPS Manual Xrefs Databases C18230 KEGG COMPOUND Calcitroic_acid Wikipedia LMST03020013 LIPID MAPS View more database links Registry Numbers Types Sources 4552044 Reaxys Registry Number Reaxys 4552044 Beilstein Registry Number Beilstein 71204-89-2 CAS Registry Number KEGG COMPOUND 71204-89-2 CAS Registry Number ChemIDplus Citation Type Source 6687801 PubMed citation Europe PMC Last Modified 11 August 2016