CHEBI:176055 - Apterin

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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 Apterin
ChEBI ID CHEBI:176055
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24O10
Net Charge 0
Average Mass 424.402
Monoisotopic Mass 424.13695
InChI InChI=1S/C20H24O10/c1-20(2,30-19-16(26)15(25)13(23)10(7-21)28-19)18-14(24)12-9(27-18)5-3-8-4-6-11(22)29-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14-,15+,16-,18+,19+/m1/s1
InChIKey ALEQYOXVXJKFOM-KTZZUYPUSA-N
SMILES O(C([C@]1(OC2=C([C@H]1O)C=3OC(=O)C=CC3C=C2)[H])(C)C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
ChEBI Ontology
Outgoing Apterin (CHEBI:176055) is a furanocoumarin (CHEBI:24128)
IUPAC Name
(8S,9R)-9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrouro[2,3-h]chromen-2-one
Manual Xref Database
26286869 ChemSpider
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