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CHEBI:220401 - Kitacinnamycin K

ChEBI IDCHEBI:220401
ChEBI NameKitacinnamycin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H76N10O13
Net Charge0
Average Mass1085.270
Monoisotopic Mass1084.55933
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)[C@@H](C)OC1=O
InChIInChI=1S/C55H76N10O13/c1-30(2)25-39-55(77)78-34(9)48(61-42(68)23-22-37-20-15-14-19-36(37)21-16-24-66)53(75)59-38(27-41(56)67)49(71)64-47(33(7)8)54(76)65(10)40(26-35-17-12-11-13-18-35)50(72)63-45(31(3)4)51(73)58-28-43(69)57-29-44(70)62-46(32(5)6)52(74)60-39/h11-24,30-34,38-40,45-48H,25-29H2,1-10H3,(H2,56,67)(H,57,69)(H,58,73)(H,59,75)(H,60,74)(H,61,68)(H,62,70)(H,63,72)(H,64,71)/b21-16+,23-22+/t34-,38-,39+,40+,45-,46-,47+,48-/m1/s1
InChIKeyWUJMQSUWPVIBIF-IHRPAGOPSA-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 K (CHEBI:220401) is a cyclodepsipeptide (CHEBI:35213)