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CHEBI:212390 - Bk-1097

ChEBI IDCHEBI:212390
ChEBI NameBk-1097
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H75N11O19
Net Charge0
Average Mass1098.175
Monoisotopic Mass1097.52407
SMILESCCCCCCCCCCCC(O)C(O)C(O)CC1CC(=O)N[C@H](CO)C(=O)NC(C(O)c2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](O)C(N)=O)C(=O)N1
InChIInChI=1S/C47H75N11O19/c1-2-3-4-5-6-7-8-9-10-11-30(62)39(69)31(63)16-24-17-34(66)54-28(21-59)44(74)57-36(38(68)23-12-14-25(61)15-13-23)47(77)55-26(18-32(48)64)42(72)51-20-35(67)53-27(19-33(49)65)43(73)56-29(22-60)45(75)58-37(46(76)52-24)40(70)41(50)71/h12-15,24,26-31,36-40,59-63,68-70H,2-11,16-22H2,1H3,(H2,48,64)(H2,49,65)(H2,50,71)(H,51,72)(H,52,76)(H,53,67)(H,54,66)(H,55,77)(H,56,73)(H,57,74)(H,58,75)/t24?,26-,27+,28-,29+,30?,31?,36?,37+,38?,39?,40+/m1/s1
InChIKeyHNWUONUNQVXJAB-YMKCGPMBSA-N
Species of MetaboliteComponentSourceComments
Burkholderia (ncbitaxon:32008) - PubMed (20085289)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bk-1097 (CHEBI:212390) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[(3S,6S,9S,15R,21R)-9,15-bis(2-amino-2-oxoethyl)-18-[hydroxy-(4-hydroxyphenyl)methyl]-6,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23-octaoxo-25-(2,3,4-trihydroxypentadecyl)-1,4,7,10,13,16,19,22-octazacyclopentacos-3-yl]-2-hydroxyacetamide
Manual XrefsDatabases
78445431ChemSpider