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CHEBI:217551 - Hectochlorin

ChEBI IDCHEBI:217551
ChEBI NameHectochlorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34Cl2N2O9S2
Net Charge0
Average Mass665.614
Monoisotopic Mass664.10828
SMILESCC(=O)O[C@@H]1c2nc(cs2)C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@@H](C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C
InChIInChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3/t13-,17-,18+,19+/m0/s1
InChIKeyUSXIYWCPCGVOKF-NOENWEJRSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (12088429)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hectochlorin (CHEBI:217551) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(5S,12S,13S,16S)-12-(4,4-dichloropentyl)-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl] acetate
Manual XrefsDatabases
552449ChemSpider