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CHEBI:192105 - Astin I

ChEBI IDCHEBI:192105
ChEBI NameAstin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34ClN5O7
Net Charge0
Average Mass552.028
Monoisotopic Mass551.21468
SMILESCCC1NC(=O)C2C(O)C(Cl)CN2C(=O)C(CC)NC(=O)CC(c2ccccc2)NC(=O)C(CO)NC1=O
InChIInChI=1S/C25H34ClN5O7/c1-3-15-22(35)30-18(12-32)23(36)29-17(13-8-6-5-7-9-13)10-19(33)27-16(4-2)25(38)31-11-14(26)21(34)20(31)24(37)28-15/h5-9,14-18,20-21,32,34H,3-4,10-12H2,1-2H3,(H,27,33)(H,28,37)(H,29,36)(H,30,35)
InChIKeyCOQCSFSVIYKVMO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Astin I (CHEBI:192105) is a peptide (CHEBI:16670)
IUPAC Name 
18-chloro-3,13-diethyl-17-hydroxy-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Manual XrefsDatabases
HMDB0041419HMDB
35015179ChemSpider