CHEBI:149482 - SN-38 O-β-D-glucuronoside(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name SN-38 O-β-D-glucuronoside(1−)
ChEBI ID CHEBI:149482
ChEBI ASCII Name SN-38 O-beta-D-glucuronoside(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C28H27N2O11
Net Charge -1
Average Mass 567.528
Monoisotopic Mass 567.16203
InChI InChI=1S/C28H28N2O11/c1-3-12-13-7-11(40-26-22(33)20(31)21(32)23(41-26)25(35)36)5-6-17(13)29-19-14(12)9-30-18(19)8-16-15(24(30)34)10-39-27(37)28(16,38)4-2/h5-8,20-23,26,31-33,38H,3-4,9-10H2,1-2H3,(H,35,36)/p-1/t20-,21-,22+,23-,26+,28-/m0/s1
InChIKey SSJQVDUAKDRWTA-CAYKMONMSA-M
SMILES O([C@@H]1O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC3=C(C=4CN5C(C4N=C3C=C2)=CC=6[C@](C(=O)OCC6C5=O)(CC)O)CC
ChEBI Ontology
Outgoing SN-38 O-β-D-glucuronoside(1−) (CHEBI:149482) is a β-D-glucosiduronate (CHEBI:83411)
Synonym Source
SN-38 O-β-D-glucuronide UniProt