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CHEBI:217275 - Zelkovamycin E

ChEBI IDCHEBI:217275
ChEBI NameZelkovamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H43N9O9S
Net Charge0
Average Mass765.850
Monoisotopic Mass765.29044
SMILESC/C=C1\NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@](C)(C(C)=O)NC(=O)[C@H](Cc2cnc3cccc(OC)c23)NC(=O)c2csc(n2)[C@@H](C)NC(=O)CN(C)C1=O
InChIInChI=1S/C35H43N9O9S/c1-8-21-33(51)44(6)15-27(47)39-18(3)32-42-24(16-54-32)30(49)41-23(12-20-13-36-22-10-9-11-25(53-7)28(20)22)31(50)43-35(5,19(4)45)34(52)37-14-26(46)38-17(2)29(48)40-21/h8-11,13,16-18,23,36H,12,14-15H2,1-7H3,(H,37,52)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,43,50)/b21-8-/t17-,18-,23+,35+/m1/s1
InChIKeyJXUQPNLBWOOGRB-HAIQEQOSSA-N
Species of MetaboliteComponentSourceComments
Kitasatosporaspecies (ncbitaxon:1871188) - PubMed (33216552)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Zelkovamycin E (CHEBI:217275) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7S,13R,16Z,22R)-7-acetyl-16-ethylidene-4-[(4-methoxy-1H-indol-3-yl)methyl]-7,13,18,22-tetramethyl-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone