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CHEBI:47208 - DELTA-2-ALBOMYCIN A1

Default Structure
ChEBI IDCHEBI:47208
ChEBI NameDELTA-2-ALBOMYCIN A1
Stars
DownloadsMolfile
FormulaC37H57FeN12O18S
Net Charge0
Average Mass1045.841
Monoisotopic Mass1045.29839
SMILES[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N3[O][Fe@OH12]45([O]N(C(C([H])([H])[H])=[O]4)C([H])([H])C([H])([H])C1([H])[H])([O]N(C(C([H])([H])[H])=[O]5)C([H])([H])C([H])([H])C2([H])[H])[O]=C3C([H])([H])[H])C([H])([H])O[H])[C@@]([H])(O[H])[C@@]1([H])S[C@@]([H])(n2c([H])c([H])/c(=N\C(=O)N([H])[H])n(C([H])([H])[H])c2=O)[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24+;/t20-,21-,22+,23+,25-,26-,27+,28+,29-,34-;/m1./s1
InChIKeyRQZRKFJHRUDTLB-CXHZXUGFSA-N
ChEBI Ontology
Outgoing Relation(s)
DELTA-2-ALBOMYCIN A1 (CHEBI:47208) is a unclassifieds (CHEBI:27189)
Synonym  Source
DELTA-2-ALBOMYCIN A1PDBeChem
Manual XrefsDatabases
ALBPDBeChem