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CHEBI:217268 - Zelkovamycin B

ChEBI IDCHEBI:217268
ChEBI NameZelkovamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H43N9O10S
Net Charge0
Average Mass793.860
Monoisotopic Mass793.28536
SMILESC/C=C1\NC(=O)[C@@H](CC)NC(=O)CN2C(=O)[C@@](C)(NC(=O)[C@H](Cc3cnc4cccc(OC)c34)NC(=O)c3csc(n3)[C@@H](C)NC(=O)CN(C)C1=O)C(=O)[C@@H]2O
InChIInChI=1S/C36H43N9O10S/c1-7-19-29(49)40-20(8-2)33(52)44(5)14-25(46)38-17(3)32-42-23(16-56-32)30(50)41-22(12-18-13-37-21-10-9-11-24(55-6)27(18)21)31(51)43-36(4)28(48)34(53)45(35(36)54)15-26(47)39-19/h8-11,13,16-17,19,22,34,37,53H,7,12,14-15H2,1-6H3,(H,38,46)(H,39,47)(H,40,49)(H,41,50)(H,43,51)/b20-8-/t17-,19-,22+,34+,36+/m1/s1
InChIKeyZSZUTDYWMWIAKG-VSBDOLEISA-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 B (CHEBI:217268) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(1S,4S,11R,17Z,20R,25S)-20-ethyl-17-ethylidene-25-hydroxy-4-[(4-methoxy-1H-indol-3-yl)methyl]-1,11,15-trimethyl-9-thia-2,5,12,15,18,21,24,28-octazatricyclo[22.2.1.17,10]octacosa-7,10(28)-diene-3,6,13,16,19,22,26,27-octone