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CHEBI:213829 - Bacillistatin 2

ChEBI IDCHEBI:213829
ChEBI NameBacillistatin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H96N6O18
Net Charge0
Average Mass1153.419
Monoisotopic Mass1152.67811
SMILESCC[C@H](C)[C@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)OC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C57H96N6O18/c1-22-32(17)44-50(68)62-39(27(7)8)53(71)77-34(19)46(64)58-41(29(11)12)55(73)79-37(24-25(3)4)49(67)61-38(26(5)6)52(70)76-35(20)47(65)59-42(30(13)14)56(74)80-45(33(18)23-2)51(69)63-40(28(9)10)54(72)78-36(21)48(66)60-43(31(15)16)57(75)81-44/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t32-,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45+/m0/s1
InChIKeyKVJGVUIUGIEWCD-CMMPDFKXSA-N
Species of MetaboliteComponentSourceComments
Solibacillus silvestris (ncbitaxon:76853) - PubMed (19226154)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bacillistatin 2 (CHEBI:213829) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-6,18-bis[(2S)-butan-2-yl]-12,24,36-trimethyl-30-(2-methylpropyl)-3,9,15,21,27,33-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
Manual XrefsDatabases
27024212ChemSpider