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CHEBI:217262 - Zelkovamycin C

ChEBI IDCHEBI:217262
ChEBI NameZelkovamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H45N9O10S
Net Charge0
Average Mass795.876
Monoisotopic Mass795.30101
SMILESC/C=C1\NC(=O)[C@@H](CC)NC(=O)CNC(=O)[C@](C)(C(C)=O)NC(=O)[C@H](Cc2cnc3ccc(O)c(OC)c23)NC(=O)c2csc(n2)[C@@H](C)NC(=O)CN(C)C1=O
InChIInChI=1S/C36H45N9O10S/c1-8-20-30(50)41-21(9-2)34(53)45(6)15-27(49)39-17(3)33-43-24(16-56-33)31(51)42-23(12-19-13-37-22-10-11-25(47)29(55-7)28(19)22)32(52)44-36(5,18(4)46)35(54)38-14-26(48)40-20/h9-11,13,16-17,20,23,37,47H,8,12,14-15H2,1-7H3,(H,38,54)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,44,52)/b21-9-/t17-,20-,23+,36+/m1/s1
InChIKeyOORNONOEAPJBHY-IXVWJLNKSA-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 C (CHEBI:217262) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7S,13R,16Z,22R)-7-acetyl-13-ethyl-16-ethylidene-4-[(5-hydroxy-4-methoxy-1H-indol-3-yl)methyl]-7,18,22-trimethyl-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