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CHEBI:215493 - Piperazimycin B

ChEBI IDCHEBI:215493
ChEBI NamePiperazimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H47ClN8O9
Net Charge0
Average Mass711.217
Monoisotopic Mass710.31545
SMILESCC(C)/C=C/C=C/C[C@@H]1NC(=O)[C@H]2C[C@@H](O)CNN2C(=O)COC(=O)[C@](C)(CO)NC(=O)[C@@H]2CCCNN2C(=O)[C@H]2C[C@H](Cl)CNN2C1=O
InChIInChI=1S/C31H47ClN8O9/c1-18(2)8-5-4-6-9-21-28(46)40-24(12-19(32)14-34-40)29(47)39-22(10-7-11-33-39)27(45)37-31(3,17-41)30(48)49-16-25(43)38-23(26(44)36-21)13-20(42)15-35-38/h4-6,8,18-24,33-35,41-42H,7,9-17H2,1-3H3,(H,36,44)(H,37,45)/b6-4+,8-5+/t19-,20+,21-,22-,23+,24+,31-/m0/s1
InChIKeyJQWUSEVRGIXWTP-HOEXFSFOSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (17221946)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Piperazimycin B (CHEBI:215493) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,5S,10S,13R,15R,23S,26S)-5-chloro-15-hydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dienyl]-21-oxa-1,7,8,11,17,18,24,30-octazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexone
Manual XrefsDatabases
17261130ChemSpider