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CHEBI:68117 - JBIR-96

ChEBI IDCHEBI:68117
ChEBI NameJBIR-96
Stars
DefinitionA natural product found in Streptomyces sp. RI051-SDHV6.
Last Modified8 October 2014
DownloadsMolfile
FormulaC27H39N5O11S
Net Charge0
Average Mass641.700
Monoisotopic Mass641.23668
SMILES[H][C@]1([C@H](C)O)NC(=O)[C@@H](NC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)OC(=O)CCNC1=O
InChIInChI=1S/C27H39N5O11S/c1-14(2)21(30-19(34)12-17-8-6-5-7-9-17)26(38)29-18(13-44(40,41)42)24(36)32-23-16(4)43-20(35)10-11-28-25(37)22(15(3)33)31-27(23)39/h5-9,14-16,18,21-23,33H,10-13H2,1-4H3,(H,28,37)(H,29,38)(H,30,34)(H,31,39)(H,32,36)(H,40,41,42)/t15-,16+,18+,21-,22+,23-/m0/s1
InChIKeyIGQWJTOITVEYBJ-GMYCQRIPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces species RI051-SDHV6 (ncbitaxon:867680) mycelium (BTO:0001436) PubMed (21491925) The mycelial cake was extracted with 80% aqueous acetone
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
JBIR-96 (CHEBI:68117) is a peptide (CHEBI:16670)
Citations