CHEBI:79297 - 2-deoxy-α-L-fucosylaclacinomycin S

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-deoxy-α-L-fucosylaclacinomycin S
ChEBI ID CHEBI:79297
ChEBI ASCII Name 2-deoxy-alpha-L-fucosylaclacinomycin S
Definition An anthracycline that is aklavinone having a 2-deoxy-L-fucosyl-(1→4)-2-deoxy-L-fucosyl-(1→4)-L-rhodosaminyl moiety attached at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H55NO16
Net Charge 0
Average Mass 829.88320
Monoisotopic Mass 829.35208
InChI InChI=1S/C42H55NO16/c1-8-42(52)16-27(32-21(34(42)41(51)53-7)12-22-33(38(32)50)37(49)31-20(36(22)48)10-9-11-24(31)44)57-28-13-23(43(5)6)39(18(3)55-28)58-30-15-26(46)40(19(4)56-30)59-29-14-25(45)35(47)17(2)54-29/h9-12,17-19,23,25-30,34-35,39-40,44-47,50,52H,8,13-16H2,1-7H3/t17-,18-,19-,23-,25-,26-,27-,28-,29-,30-,34-,35+,39+,40+,42+/m0/s1
InChIKey DEGUCPPGAZTULS-UJSHPDKWSA-N
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) has functional parent aklavinone (CHEBI:31181)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) has role metabolite (CHEBI:25212)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) is a p-quinones (CHEBI:25830)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) is a aminoglycoside (CHEBI:47779)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) is a anthracycline (CHEBI:48120)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) is a methyl ester (CHEBI:25248)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) is a phenols (CHEBI:33853)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) is a polyketide (CHEBI:26188)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) is a trisaccharide derivative (CHEBI:63571)
2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297) is tautomer of 2-deoxy-α-L-fucosylaclacinomycin S zwitterion (CHEBI:78378)
Incoming 2-deoxy-α-L-fucosylaclacinomycin S zwitterion (CHEBI:78378) is tautomer of 2-deoxy-α-L-fucosylaclacinomycin S (CHEBI:79297)
IUPAC Name
methyl (R,2R,4S)-4-{[2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Synonym Source
2-deoxy-L-fucosyl-(1→4)-2-deoxy-L-fucosyl-(1→4)-L-rhodosaminyl-(1→4')-aklavinone ChEBI
Registry Number Type Source
11218075 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15078101 PubMed citation Europe PMC
Last Modified
06 June 2016