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CHEBI:85517 - acarbose 7IV-phosphate

ChEBI IDCHEBI:85517
ChEBI Nameacarbose 7IV-phosphate
Stars
ASCII Nameacarbose 7(IV)-phosphate
DefinitionA tetrasaccharide derivative that is acarbose phosphorylated at the primary hydroxy group on the carbocyclic residue at the non-reducing end.
Last Modified22 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC25H44NO21P
Net Charge0
Average Mass725.587
Monoisotopic Mass725.21434
SMILESC[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]1N[C@H]1C=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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)/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
InChIKeyVXXDSQWLTKKGLO-UGEKTDRHSA-N
ChEBI Ontology
Outgoing Relation(s)
acarbose 7IV-phosphate (CHEBI:85517) has functional parent acarbose (CHEBI:2376)
acarbose 7IV-phosphate (CHEBI:85517) is a oligosaccharide phosphate (CHEBI:16916)
acarbose 7IV-phosphate (CHEBI:85517) is a tetrasaccharide derivative (CHEBI:63567)
acarbose 7IV-phosphate (CHEBI:85517) is conjugate acid of acarbose 7IV-phosphate(1−) (CHEBI:84975)
Incoming Relation(s)
acarbose 7IV-phosphate(1−) (CHEBI:84975) is conjugate base of acarbose 7IV-phosphate (CHEBI:85517)
IUPAC Name 
4,6-dideoxy-4-({(1S,4R,5S,6S)-4,5,6-trihydroxy-3-[(phosphonooxy)methyl]cyclohex-2-en-1-yl}amino)-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-D-glucopyranose
Manual XrefsDatabases
CPD-17529MetaCyc