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CHEBI:214664 - EH21A3

ChEBI IDCHEBI:214664
ChEBI NameEH21A3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42N2O8
Net Charge0
Average Mass534.650
Monoisotopic Mass534.29412
SMILESCO[C@H]1C[C@H](C)Cc2cc(cc(O)c2O)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O
InChIInChI=1S/C28H42N2O8/c1-15-10-19-13-20(14-21(31)25(19)33)30-27(34)16(2)8-7-9-22(36-5)26(38-28(29)35)18(4)12-17(3)24(32)23(11-15)37-6/h8,12-15,17,22-24,26,31-33H,7,9-11H2,1-6H3,(H2,29,35)(H,30,34)/b16-8+,18-12+/t15-,17+,22+,23+,24-,26+/m1/s1
InChIKeyLQCLDVBADKXMJS-WCTXHBHRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (18243703)
ChEBI Ontology
Outgoing Relation(s)
EH21A3 (CHEBI:214664) is a azamacrocycle (CHEBI:52898)
EH21A3 (CHEBI:214664) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4E,8S,9S,10E,12S,13R,14S,16R)-13,19,20-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl] carbamate
Manual XrefsDatabases
23312558ChemSpider