CHEBI:139274 - calcitriol 25-O-(β-D-glucuronate)

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ChEBI Name calcitriol 25-O-(β-D-glucuronate) ChEBI ID CHEBI:139274 ChEBI ASCII Name calcitriol 25-O-(beta-D-glucuronate) Definition A steroid glucuronide anion that is the conjugate base of calcitriol 25-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H51O9 Net Charge -1 Average Mass 591.754 Monoisotopic Mass 591.35386 InChI InChI=1S/C33H52O9/c1-18(8-6-14-32(3,4)42-31-28(38)26(36)27(37)29(41-31)30(39)40)23-12-13-24-20(9-7-15-33(23,24)5)10-11-21-16-22(34)17-25(35)19(21)2/h10-11,18,22-29,31,34-38H,2,6-9,12-17H2,1,3-5H3,(H,39,40)/p-1/b20-10+,21-11-/t18-,22-,23-,24+,25+,26+,27+,28-,29+,31+,33-/m1/s1 InChIKey UBEXJJQDSPZXNL-BHNPUNFPSA-M SMILES C1[C@]2([C@](/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)CCCC(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(=O)[O-])(C)C)[H])[H])C ChEBI Ontology Outgoing calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) has functional parent calcitriol (CHEBI:17823) calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) is a seco-cholestane conjugate (CHEBI:167104) calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) is a steroid glucosiduronic acid anion (CHEBI:136637) calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) is conjugate base of calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) Incoming calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) is conjugate acid of calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) IUPAC Name (6R)-6-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-2-methylheptan-2-yl β-D-glucopyranosiduronate Synonyms Sources (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3-diol-25-yl β-D-glucopyranosiduronate ChEBI 1α,25-dihydroxyvitamin D3 25-O-(β-D-glucuronate) ChEBI 1α,25-dihydroxyvitamin D3 25-O-(β-D-glucuronide)(1−) SUBMITTER calcitriol 25-O-(β-D-glucuronide) UniProt Citation Type Source 18177842 PubMed citation SUBMITTER Last Modified 07 February 2018