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CHEBI:206226 - 1-alaninechlamydocin

ChEBI IDCHEBI:206226
ChEBI Name1-alaninechlamydocin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36N4O6
Net Charge0
Average Mass512.607
Monoisotopic Mass512.26348
SMILESC[C@@H]1NC(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C27H36N4O6/c1-17-24(33)30-20(15-18-9-4-2-5-10-18)27(36)31-14-8-12-21(31)26(35)29-19(25(34)28-17)11-6-3-7-13-22(32)23-16-37-23/h2,4-5,9-10,17,19-21,23H,3,6-8,11-16H2,1H3,(H,28,34)(H,29,35)(H,30,33)/t17-,19-,20-,21+,23-/m0/s1
InChIKeyQMNUPNOLDLHVTB-IWDBHXEASA-N
Species of MetaboliteComponentSourceComments
Tolypocladiumspecies (ncbitaxon:1856741) - PubMed (24999749)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-alaninechlamydocin (CHEBI:206226) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12R)-3-benzyl-6-methyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Manual XrefsDatabases
58133154ChemSpider