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CHEBI:221247 - Cyclochlorotine B

ChEBI IDCHEBI:221247
ChEBI NameCyclochlorotine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32ClN5O7
Net Charge0
Average Mass538.001
Monoisotopic Mass537.19903
SMILESCC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)CCN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C24H32ClN5O7/c1-2-15-21(34)29-17(11-31)22(35)28-16(13-6-4-3-5-7-13)10-19(33)26-18(12-32)24(37)30-9-8-14(25)20(30)23(36)27-15/h3-7,14-18,20,31-32H,2,8-12H2,1H3,(H,26,33)(H,27,36)(H,28,35)(H,29,34)/t14-,15+,16-,17+,18+,20+/m1/s1
InChIKeyTWLLLEZBOHPXTA-GZKCFLEVSA-N
Species of MetaboliteComponentSourceComments
Talaromyces islandicus (ncbitaxon:28573) - PubMed (26954535)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclochlorotine B (CHEBI:221247) is a peptide (CHEBI:16670)
IUPAC Name 
(3S,7R,10S,13S,16R,17R)-17-chloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone