EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220372 - Kitacinnamycin C

ChEBI IDCHEBI:220372
ChEBI NameKitacinnamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H91N11O18
Net Charge0
Average Mass1290.480
Monoisotopic Mass1289.65436
SMILESCC(=O)N[C@H]1[C@H](OC/C=C/c2ccccc2/C=C/C(=O)N[C@H]2C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H]2C)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C63H91N11O18/c1-32(2)26-42-62(89)91-36(9)52(70-46(78)24-23-40-21-16-15-20-39(40)22-17-25-90-63-53(67-37(10)76)55(82)54(81)44(31-75)92-63)60(87)68-41(28-45(64)77)56(83)73-51(35(7)8)61(88)74(11)43(27-38-18-13-12-14-19-38)57(84)72-49(33(3)4)58(85)66-29-47(79)65-30-48(80)71-50(34(5)6)59(86)69-42/h12-24,32-36,41-44,49-55,63,75,81-82H,25-31H2,1-11H3,(H2,64,77)(H,65,79)(H,66,85)(H,67,76)(H,68,87)(H,69,86)(H,70,78)(H,71,80)(H,72,84)(H,73,83)/b22-17+,24-23+/t36-,41-,42+,43+,44-,49-,50-,51+,52-,53-,54-,55-,63-/m1/s1
InChIKeyWWMXFHLKCAMZFW-ROFGFBDFSA-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 C (CHEBI:220372) is a cyclodepsipeptide (CHEBI:35213)