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CHEBI:209530 - Maltacine B2b

ChEBI IDCHEBI:209530
ChEBI NameMaltacine B2b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H106N14O21
Net Charge0
Average Mass1515.728
Monoisotopic Mass1514.76570
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCCO)NC(=O)C(CCCCN)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(N)=O)NC(=O)C2CCCN2)CCCCOC1=O
InChIInChI=1S/C73H106N14O21/c1-5-40(2)60-73(107)108-36-11-8-15-50(80-69(103)55(37-43-17-23-46(90)24-18-43)83-67(101)53(29-31-58(75)93)82-63(97)49-16-12-34-76-49)64(98)77-41(3)62(96)78-54(30-32-59(94)95)68(102)87-61(42(4)89)72(106)85-56(38-44-19-25-47(91)26-20-44)70(104)81-51(13-6-9-33-74)65(99)79-52(14-7-10-35-88)66(100)84-57(71(105)86-60)39-45-21-27-48(92)28-22-45/h17-28,40-42,49-57,60-61,76,88-92H,5-16,29-39,74H2,1-4H3,(H2,75,93)(H,77,98)(H,78,96)(H,79,99)(H,80,103)(H,81,104)(H,82,97)(H,83,101)(H,84,100)(H,85,106)(H,86,105)(H,87,102)(H,94,95)
InChIKeyUDWSRPPIGMXFFI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (15724270)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Maltacine B2b (CHEBI:209530) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[12-(4-aminobutyl)-27-[[2-[[5-amino-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-butan-2-yl-9-(4-hydroxybutyl)-18-(1-hydroxyethyl)-6,15-bis[(4-hydroxyphenyl)methyl]-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclohentriacont-21-yl]propanoic acid
Manual XrefsDatabases
78444985ChemSpider