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CHEBI:209676 - A-53930B

ChEBI IDCHEBI:209676
ChEBI NameA-53930B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H82N16O12
Net Charge0
Average Mass1015.229
Monoisotopic Mass1014.62981
SMILESNCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)N[C@H]1C(NC2=NC3C(=O)NCC(O)C3N2)O[C@H](COC(N)=O)[C@H](O)[C@H]1O
InChIInChI=1S/C43H82N16O12/c44-11-1-6-23(45)16-30(61)51-12-2-7-24(46)17-31(62)52-13-3-8-25(47)18-32(63)53-14-4-9-26(48)19-33(64)54-15-5-10-27(49)20-34(65)56-37-39(67)38(66)29(22-70-42(50)69)71-41(37)59-43-57-35-28(60)21-55-40(68)36(35)58-43/h23-29,35-39,41,60,66-67H,1-22,44-49H2,(H2,50,69)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,55,68)(H,56,65)(H2,57,58,59)/t23?,24?,25?,26?,27?,28?,29-,35?,36?,37-,38+,39+,41?/m1/s1
InChIKeyIJDNLUQURNFBKI-RWXVWNDGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9727385)
ChEBI Ontology
Outgoing Relation(s)
A-53930B (CHEBI:209676) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
[(2R,3R,4S,5R)-5-[[3-amino-6-[[3-amino-6-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxy-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-2-yl]methyl carbamate
Manual XrefsDatabases
78445168ChemSpider