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CHEBI:220386 - Kitacinnamycin F

Default Structure
ChEBI IDCHEBI:220386
ChEBI NameKitacinnamycin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H78N10O14
Net Charge0
Average Mass1115.296
Monoisotopic Mass1114.56990
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)/C=C/c2ccccc2/C=C/C(=O)O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C56H78N10O14/c1-11-33(8)48-55(78)66(10)40(26-35-17-13-12-14-18-35)51(74)64-46(31(4)5)52(75)59-28-43(69)58-29-44(70)63-47(32(6)7)53(76)61-39(25-30(2)3)56(79)80-34(9)49(54(77)60-38(27-41(57)67)50(73)65-48)62-42(68)23-21-36-19-15-16-20-37(36)22-24-45(71)72/h12-24,30-34,38-40,46-49H,11,25-29H2,1-10H3,(H2,57,67)(H,58,69)(H,59,75)(H,60,77)(H,61,76)(H,62,68)(H,63,70)(H,64,74)(H,65,73)(H,71,72)/b23-21+,24-22+/t33-,34-,38-,39+,40+,46-,47-,48+,49-/m1/s1
InChIKeySXPYRMLACQGKQW-ZPFFMEEVSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora (ncbitaxon:2063) - DOI (10.1039/c9sc00815b)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kitacinnamycin F (CHEBI:220386) is a cyclodepsipeptide (CHEBI:35213)