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CHEBI:220382 - Kitacinnamycin E

ChEBI IDCHEBI:220382
ChEBI NameKitacinnamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H76N10O14
Net Charge0
Average Mass1101.269
Monoisotopic Mass1100.55425
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)/C=C/c2ccccc2/C=C/C(=O)O)[C@@H](C)OC1=O
InChIInChI=1S/C55H76N10O14/c1-29(2)24-38-55(78)79-33(9)48(61-41(67)22-20-35-18-14-15-19-36(35)21-23-44(70)71)53(76)59-37(26-40(56)66)49(72)64-47(32(7)8)54(77)65(10)39(25-34-16-12-11-13-17-34)50(73)63-45(30(3)4)51(74)58-27-42(68)57-28-43(69)62-46(31(5)6)52(75)60-38/h11-23,29-33,37-39,45-48H,24-28H2,1-10H3,(H2,56,66)(H,57,68)(H,58,74)(H,59,76)(H,60,75)(H,61,67)(H,62,69)(H,63,73)(H,64,72)(H,70,71)/b22-20+,23-21+/t33-,37-,38+,39+,45-,46-,47+,48-/m1/s1
InChIKeyBBLLAZGERYVDAG-FLUBONIKSA-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 E (CHEBI:220382) is a cyclodepsipeptide (CHEBI:35213)