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CHEBI:199290 - Calcaripeptide B

ChEBI IDCHEBI:199290
ChEBI NameCalcaripeptide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34N2O5
Net Charge0
Average Mass454.567
Monoisotopic Mass454.24677
SMILESC/C1=C\[C@H](C)CC[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CC1=O
InChIInChI=1S/C26H34N2O5/c1-17-11-12-19(3)33-26(32)22-10-7-13-28(22)25(31)21(15-20-8-5-4-6-9-20)27-24(30)16-23(29)18(2)14-17/h4-6,8-9,14,17,19,21-22H,7,10-13,15-16H2,1-3H3,(H,27,30)/b18-14+/t17-,19-,21+,22+/m1/s1
InChIKeyMOZMIKLMMWHPFK-OTRHEVASSA-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 B (CHEBI:199290) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,8E,10R,13R,16S)-3-benzyl-8,10,13-trimethyl-14-oxa-1,4-diazabicyclo[14.3.0]nonadec-8-ene-2,5,7,15-tetrone
Manual XrefsDatabases
78440041ChemSpider