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CHEBI:225814 - Rufomycin NBZ6

ChEBI IDCHEBI:225814
ChEBI NameRufomycin NBZ6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H75N9O11
Net Charge0
Average Mass1014.235
Monoisotopic Mass1013.55860
SMILESC/C=C/C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(C(C)(C)[C@H]3CO3)c3ccccc23)NC1=O
InChIInChI=1S/C53H75N9O11/c1-12-13-17-36-46(64)58-40(26-34-27-61(53(9,10)45-28-73-45)41-18-15-14-16-35(34)41)50(68)56-37(21-29(2)3)49(67)57-39(24-33-19-20-44(63)42(25-33)62(71)72)47(65)54-32(8)52(70)60(11)43(23-31(6)7)51(69)59-38(22-30(4)5)48(66)55-36/h12-16,18-20,25,27,29-32,36-40,43,45,63H,17,21-24,26,28H2,1-11H3,(H,54,65)(H,55,66)(H,56,68)(H,57,67)(H,58,64)(H,59,69)/b13-12+/t32-,36-,37-,38-,39-,40-,43-,45+/m0/s1
InChIKeyRMGQPCJBCAGCTM-RKLCLHEHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32031795)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rufomycin NBZ6 (CHEBI:225814) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12S,15S,18S,21S)-15-[(E)-but-2-enyl]-6-[(4-hydroxy-3-nitrophenyl)methyl]-1,3-dimethyl-9,18,21-tris(2-methylpropyl)-12-[[1-[2-[(2S)-oxiran-2-yl]propan-2-yl]indol-3-yl]methyl]-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone