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CHEBI:221254 - Deoxy-Cyclochlorotine

ChEBI IDCHEBI:221254
ChEBI NameDeoxy-Cyclochlorotine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31Cl2N5O6
Net Charge0
Average Mass556.447
Monoisotopic Mass555.16514
SMILESCC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](C)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C24H31Cl2N5O6/c1-3-15-21(34)30-17(11-32)22(35)29-16(13-7-5-4-6-8-13)9-18(33)27-12(2)24(37)31-10-14(25)19(26)20(31)23(36)28-15/h4-8,12,14-17,19-20,32H,3,9-11H2,1-2H3,(H,27,33)(H,28,36)(H,29,35)(H,30,34)/t12-,14+,15-,16+,17-,19+,20-/m0/s1
InChIKeyZDWWOLCFJBJTEE-QYBQCNLOSA-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)
Deoxy-Cyclochlorotine (CHEBI:221254) is a peptide (CHEBI:16670)
IUPAC Name 
(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-10-(hydroxymethyl)-3-methyl-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone