EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225599 - JBIR-19

ChEBI IDCHEBI:225599
ChEBI NameJBIR-19
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H48NO9P
Net Charge0
Average Mass549.642
Monoisotopic Mass549.30667
SMILESCC1CCC/C=C/CCCCCCCCC(O)C(O)C2OC2C(OP(=O)(O)OCCN)CCCC(=O)O1
InChIInChI=1S/C26H48NO9P/c1-20-14-11-9-7-5-3-2-4-6-8-10-12-15-21(28)24(30)26-25(35-26)22(16-13-17-23(29)34-20)36-37(31,32)33-19-18-27/h5,7,20-22,24-26,28,30H,2-4,6,8-19,27H2,1H3,(H,31,32)/b7-5+
InChIKeyGBCIMKINXXNPFP-FNORWQNLSA-N
Species of MetaboliteComponentSourceComments
Metarhizium (ncbitaxon:5529) - PubMed (19198639)
ChEBI Ontology
Outgoing Relation(s)
JBIR-19 (CHEBI:225599) is a macrolide (CHEBI:25106)
IUPAC Name 
2-aminoethyl [(12E)-22,23-dihydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl] hydrogen phosphate
Manual XrefsDatabases
28286153ChemSpider