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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

microcystbiopterin a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H27N5O8

inchi

  • InChI=1S/C18H27N5O8/c1-7(11(25)8-5-20-15-10(21-8)16(26)23-18(19)22-15)30-17-14(29-4)13(28-3)12(27-2)9(6-24)31-17/h5,7,9,11-14,17,24-25H,6H2,1-4H3,(H3,19,20,22,23,26)/t7-,9+,11-,12+,13-,14-,17-/m0/s1

inchikey

  • DGKUISNXCLDEPS-PJPSGOJHSA-N

mass

  • 441.441

monoisotopicmass

  • 441.18596

smiles

  • O=C1NC(=NC=2C1=NC(=CN2)[C@@H](O)[C@@H](O[C@H]3O[C@@H]([C@@H](OC)[C@@H]([C@@H]3OC)OC)CO)C)N

subset

  • 2_STAR

synonym EXACT

  • 2-amino-6-[(1R,2S)-1-hydroxy-2-[(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxypropyl]-3H-pteridin-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208723

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