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CHEBI:203013 - EH21A2

ChEBI IDCHEBI:203013
ChEBI NameEH21A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42N2O7
Net Charge0
Average Mass518.651
Monoisotopic Mass518.29920
SMILESCO[C@H]1C[C@H](C)Cc2cc(O)cc(c2)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/C28H42N2O7/c1-16-10-20-13-21(15-22(31)14-20)30-27(33)17(2)8-7-9-23(35-5)26(37-28(29)34)19(4)12-18(3)25(32)24(11-16)36-6/h8,12-16,18,23-26,31-32H,7,9-11H2,1-6H3,(H2,29,34)(H,30,33)/b17-8+,19-12+/t16-,18+,23+,24+,25-,26+/m1/s1
InChIKeyHUXWGTSMSXMDBH-UQMARRQJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (18243703)
ChEBI Ontology
Outgoing Relation(s)
EH21A2 (CHEBI:203013) is a azamacrocycle (CHEBI:52898)
EH21A2 (CHEBI:203013) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4E,8S,9S,10E,12S,13R,14S,16R)-13,20-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl] carbamate
Manual XrefsDatabases
23312556ChemSpider