mycophenolate 7-O-beta-D-glucuronide(2-) (CHEBI:149486)

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CHEBI:149486 - mycophenolate 7-O-β-D-glucuronide(2−)

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ChEBI ID	CHEBI:149486
ChEBI Name	mycophenolate 7-O-β-D-glucuronide(2−)
Stars
ASCII Name	mycophenolate 7-O-beta-D-glucuronide(2-)
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C23H26O12
Net Charge	-2
Average Mass	494.449
Monoisotopic Mass	494.14352
SMILES	COc1c(C)c2c(c(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2
InChI	InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/p-2/b9-4+/t15-,16-,17+,20-,23+/m0/s1
InChIKey	BYFGTSAYQQIUCN-HGIHDBQLSA-L

ChEBI Ontology

Outgoing Relation(s)
	mycophenolate 7-O-β-D-glucuronide(2−) (CHEBI:149486) is a carbohydrate acid derivative anion (CHEBI:63551)
	mycophenolate 7-O-β-D-glucuronide(2−) (CHEBI:149486) is a β-D-glucosiduronate (CHEBI:83411)

UniProt Name	Source
mycophenolate 7-O-β-D-glucuronide	UniProt

Manual Xrefs	Databases
CPD-14604	MetaCyc

Citations