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CHEBI:217283 - Zelkovamycin D

ChEBI IDCHEBI:217283
ChEBI NameZelkovamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H45N9O10S
Net Charge0
Average Mass795.876
Monoisotopic Mass795.30101
SMILESCC[C@H]1NC(=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)C(=O)/C(=C/CO)NC1=O
InChIInChI=1S/C36H45N9O10S/c1-7-21-30(50)41-23(11-12-46)34(53)45(5)16-28(49)39-18(2)33-43-25(17-56-33)31(51)42-24(13-20-14-37-22-9-8-10-26(55-6)29(20)22)32(52)44-36(4,19(3)47)35(54)38-15-27(48)40-21/h8-11,14,17-18,21,24,37,46H,7,12-13,15-16H2,1-6H3,(H,38,54)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,44,52)/b23-11-/t18-,21-,24+,36+/m1/s1
InChIKeyIDQDOHKLXZSZIG-VQJCRCMASA-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 D (CHEBI:217283) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7S,13R,16Z,22R)-7-acetyl-13-ethyl-16-(2-hydroxyethylidene)-4-[(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