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CHEBI:220414 - Kitacinnamycin N

ChEBI IDCHEBI:220414
ChEBI NameKitacinnamycin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H100N10O23
Net Charge0
Average Mass1425.595
Monoisotopic Mass1424.69628
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]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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/C68H100N10O23/c1-11-36(8)52-65(95)78(10)43(27-38-18-13-12-14-19-38)61(91)76-50(34(4)5)62(92)71-29-48(83)70-30-49(84)75-51(35(6)7)63(93)73-42(26-33(2)3)66(96)98-37(9)53(64(94)72-41(28-46(69)81)60(90)77-52)74-47(82)24-23-40-21-16-15-20-39(40)22-17-25-97-68-59(57(88)55(86)45(32-80)100-68)101-67-58(89)56(87)54(85)44(31-79)99-67/h12-24,33-37,41-45,50-59,67-68,79-80,85-89H,11,25-32H2,1-10H3,(H2,69,81)(H,70,83)(H,71,92)(H,72,94)(H,73,93)(H,74,82)(H,75,84)(H,76,91)(H,77,90)/b22-17+,24-23+/t36-,37-,41-,42+,43+,44-,45-,50-,51-,52+,53-,54-,55-,56+,57+,58-,59-,67+,68-/m1/s1
InChIKeySOONNLKPROWIDQ-WWLMAZIVSA-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 N (CHEBI:220414) is a cyclodepsipeptide (CHEBI:35213)