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CHEBI:219587 - Hydroxycyclochlorotine A

ChEBI IDCHEBI:219587
ChEBI NameHydroxycyclochlorotine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31Cl2N5O8
Net Charge0
Average Mass588.445
Monoisotopic Mass587.15497
SMILESC[C@@H](O)[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C24H31Cl2N5O8/c1-11(34)19-22(37)29-15(9-32)21(36)28-14(12-5-3-2-4-6-12)7-17(35)27-16(10-33)24(39)31-8-13(25)18(26)20(31)23(38)30-19/h2-6,11,13-16,18-20,32-34H,7-10H2,1H3,(H,27,35)(H,28,36)(H,29,37)(H,30,38)/t11-,13-,14-,15+,16+,18-,19+,20+/m1/s1
InChIKeySQOPWHUHNWXLMA-PQMJZOGWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces islandicus (ncbitaxon:28573) - PubMed (18558744)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hydroxycyclochlorotine A (CHEBI:219587) is a peptide (CHEBI:16670)
IUPAC Name 
(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-[(1R)-1-hydroxyethyl]-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Manual XrefsDatabases
78438187ChemSpider