CHEBI:84975 - acarbose 7IV-phosphate(1−)

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ChEBI Name acarbose 7IV-phosphate(1−)
ChEBI ID CHEBI:84975
ChEBI ASCII Name acarbose 7(IV)-phosphate(1-)
Definition An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the amino group of acarbose 7IV-phosphate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C25H43NO21P
Net Charge -1
Average Mass 724.57730
Monoisotopic Mass 724.20707
InChI InChI=1S/C25H44NO21P/c1-6-11(26-8-2-7(5-42-48(39,40)41)12(29)15(32)13(8)30)14(31)19(36)24(43-6)46-22-10(4-28)45-25(20(37)17(22)34)47-21-9(3-27)44-23(38)18(35)16(21)33/h2,6,8-38H,3-5H2,1H3,(H2,39,40,41)/p-1/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
InChIKey VXXDSQWLTKKGLO-UGEKTDRHSA-M
SMILES C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1[NH2+][C@H]1C=C(COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing acarbose 7IV-phosphate(1−) (CHEBI:84975) is a organophosphate oxoanion (CHEBI:58945)
acarbose 7IV-phosphate(1−) (CHEBI:84975) is conjugate base of acarbose 7IV-phosphate (CHEBI:85517)
Incoming acarbose 7IV-phosphate (CHEBI:85517) is conjugate acid of acarbose 7IV-phosphate(1−) (CHEBI:84975)
IUPAC Name
4,6-dideoxy-4-({(1S,4R,5S,6S)-4,5,6-trihydroxy-3-[(phosphonatooxy)methyl]cyclohex-2-en-1-yl}azaniumyl)-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-D-glucopyranose
Synonym Source
acarbose 7IV-phosphate UniProt
Manual Xref Database
CPD-17529 MetaCyc
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Citations Waiting for Citations Types Sources
11937512 PubMed citation SUBMITTER
8784426 PubMed citation SUBMITTER
8784428 PubMed citation SUBMITTER
Last Modified
22 April 2015