CHEBI:28554 - ajugose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ajugose
ChEBI ID CHEBI:28554
Definition A hexasaccharide that is verbascose which has an additional unit of α-D-galactopyranose attached by a 1→6 glycosidic linkage to the terminal galactosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10281, CHEBI:22452
Supplier Information
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Formula C36H62O31
Net Charge 0
Average Mass 990.85890
Monoisotopic Mass 990.32751
InChI InChI=1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1
InChIKey NCIHJQNXRKJRMJ-HKJJPIHFSA-N
SMILES OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](OC[C@H]5O[C@H](O[C@]6(CO)O[C@H](CO)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing ajugose (CHEBI:28554) has functional parent verbascose (CHEBI:28586)
ajugose (CHEBI:28554) is a hexasaccharide (CHEBI:35368)
ajugose (CHEBI:28554) is a raffinose family oligosaccharide (CHEBI:74961)
IUPAC Name
β-D-fructofuranosyl α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-glucopyranoside
Synonyms Sources
Ajugose KEGG COMPOUND
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose KEGG COMPOUND
β-D-Galp-(1→6)-β-D-Galp-(1→6)-β-D-Galp-(1→6)-β-D-Galp-(1→6)-α-D-Glcp-(1↔2)-β-D-Fruf ChEBI
Manual Xrefs Databases
C00001133 KNApSAcK
C08238 KEGG COMPOUND
CPD-8066 MetaCyc
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Registry Numbers Types Sources
512-72-1 CAS Registry Number KEGG COMPOUND
78323 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15998152 PubMed citation Europe PMC
16716272 PubMed citation Europe PMC
7445755 PubMed citation Europe PMC
Last Modified
28 July 2014