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CHEBI:222589 - Nocardamin glucuronide

ChEBI IDCHEBI:222589
ChEBI NameNocardamin glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56N6O15
Net Charge0
Average Mass776.838
Monoisotopic Mass776.38037
SMILESO=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CCCCCN1
InChIInChI=1S/C33H56N6O15/c40-22-10-13-25(43)38(52)20-8-2-5-17-36-24(42)12-15-27(45)39(54-33-30(48)28(46)29(47)31(53-33)32(49)50)21-9-3-6-18-35-23(41)11-14-26(44)37(51)19-7-1-4-16-34-22/h28-31,33,46-48,51-52H,1-21H2,(H,34,40)(H,35,41)(H,36,42)(H,49,50)/t28-,29-,30+,31-,33-/m0/s1
InChIKeyBXAKDNZHCXUJKG-MOZJAVLYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31395970)
ChEBI Ontology
Outgoing Relation(s)
Nocardamin glucuronide (CHEBI:222589) is a azamacrocycle (CHEBI:52898)
Nocardamin glucuronide (CHEBI:222589) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[(12,23-dihydroxy-2,5,13,16,24,27-hexaoxo-1,6,12,17,23,28-hexazacyclotritriacont-1-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid