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CHEBI:220378 - Kitacinnamycin D

ChEBI IDCHEBI:220378
ChEBI NameKitacinnamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H93N11O18
Net Charge0
Average Mass1304.507
Monoisotopic Mass1303.67001
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)/C=C/c2ccccc2/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=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/C64H93N11O18/c1-12-36(8)52-62(89)75(11)44(28-39-19-14-13-15-20-39)58(85)73-50(34(4)5)59(86)67-30-48(80)66-31-49(81)72-51(35(6)7)60(87)70-43(27-33(2)3)63(90)92-37(9)53(61(88)69-42(29-46(65)78)57(84)74-52)71-47(79)25-24-41-22-17-16-21-40(41)23-18-26-91-64-54(68-38(10)77)56(83)55(82)45(32-76)93-64/h13-25,33-37,42-45,50-56,64,76,82-83H,12,26-32H2,1-11H3,(H2,65,78)(H,66,80)(H,67,86)(H,68,77)(H,69,88)(H,70,87)(H,71,79)(H,72,81)(H,73,85)(H,74,84)/b23-18+,25-24+/t36-,37-,42-,43+,44+,45-,50-,51-,52+,53-,54-,55-,56-,64-/m1/s1
InChIKeyFUUPIQDJIBDUCA-AVLHPQDGSA-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 D (CHEBI:220378) is a cyclodepsipeptide (CHEBI:35213)