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CHEBI:225680 - Dactylocycline A

ChEBI IDCHEBI:225680
ChEBI NameDactylocycline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H40ClN3O13
Net Charge0
Average Mass698.122
Monoisotopic Mass697.22497
SMILESCOc1cc(O)c2c(c1Cl)[C@](C)(O[C@H]1C[C@](C)(NO)[C@@H](OC)[C@H](C)O1)[C@H]1C[C@@]3(O)[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O
InChIInChI=1S/C31H40ClN3O13/c1-11-26(46-7)28(2,34-44)10-15(47-11)48-29(3)12-9-30(42)23(35(4)5)22(38)18(27(33)41)25(40)31(30,43)24(39)16(12)21(37)17-13(36)8-14(45-6)20(32)19(17)29/h8,11-12,15,23,26,34,36-37,40,42-44H,9-10H2,1-7H3,(H2,33,41)/t11-,12-,15-,23+,26-,28-,29+,30+,31-/m0/s1
InChIKeyTUXHICHKDSJQIG-XKPXZWBCSA-N
Species of MetaboliteComponentSourceComments
Dactylosporangiumspecies ATCC 53693 (ncbitaxon:2306541) - PubMed (1490880)
Roles Classification
Biological Role:
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)
Dactylocycline A (CHEBI:225680) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4S,4aR,5aS,6R,12aS)-7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[(2S,4S,5R,6S)-4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide
Manual XrefsDatabases
78438319ChemSpider