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CHEBI:202463 - Calcaripeptide A

ChEBI IDCHEBI:202463
ChEBI NameCalcaripeptide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36N2O5
Net Charge0
Average Mass468.594
Monoisotopic Mass468.26242
SMILESC/C1=C\[C@H](C)CC[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)C1=O
InChIInChI=1S/C27H36N2O5/c1-17-12-13-19(3)34-27(33)23-11-8-14-29(23)26(32)22(16-21-9-6-5-7-10-21)28-25(31)20(4)24(30)18(2)15-17/h5-7,9-10,15,17,19-20,22-23H,8,11-14,16H2,1-4H3,(H,28,31)/b18-15+/t17-,19-,20+,22+,23+/m1/s1
InChIKeyOQMLOMRYHZYBNH-MTXYPNDYSA-N
Species of MetaboliteComponentSourceComments
Calcarisporium (ncbitaxon:150368) - PubMed (23865792)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Calcaripeptide A (CHEBI:202463) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,8E,10R,13R,16S)-3-benzyl-6,8,10,13-tetramethyl-14-oxa-1,4-diazabicyclo[14.3.0]nonadec-8-ene-2,5,7,15-tetrone
Manual XrefsDatabases
29784933ChemSpider