2-deoxy-alpha-L-fucosylaclacinomycin S (CHEBI:79297)

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

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ChEBI ID	CHEBI:79297
ChEBI Name	2-deoxy-α-L-fucosylaclacinomycin S
Stars
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.
Last Modified	6 June 2016
Submitter	Steve
Downloads	Molfile

Formula	C42H55NO16
Net Charge	0
Average Mass	829.893
Monoisotopic Mass	829.35208
SMILES	CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[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)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
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

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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 Numbers	Sources
Reaxys:11218075	Reaxys

Citations