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CHEBI:225983 - Pargamicin B

ChEBI IDCHEBI:225983
ChEBI NamePargamicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50N8O9
Net Charge0
Average Mass702.810
Monoisotopic Mass702.37008
SMILESCC(C)C1C(=O)N2NCCC[C@@H]2C(=O)N(C)[C@@H](C(C)(C)O)C(=O)N2NC[C@H](O)C[C@@H]2C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)C(=O)N1O
InChIInChI=1S/C33H50N8O9/c1-19(2)26-31(47)39-23(13-10-14-34-39)30(46)38(6)27(33(3,4)49)32(48)40-24(16-21(42)17-35-40)29(45)37(5)18-25(43)36-22(28(44)41(26)50)15-20-11-8-7-9-12-20/h7-9,11-12,19,21-24,26-27,34-35,42,49-50H,10,13-18H2,1-6H3,(H,36,43)/t21-,22-,23-,24-,26?,27-/m1/s1
InChIKeyFQDZOOBJRFYXQS-QMACPEBCSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (28293037)
ChEBI Ontology
Outgoing Relation(s)
Pargamicin B (CHEBI:225983) is a azamacrocycle (CHEBI:52898)
Pargamicin B (CHEBI:225983) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3S,6R,16R,22R,24R)-16-benzyl-14,24-dihydroxy-3-(2-hydroxypropan-2-yl)-4,20-dimethyl-13-propan-2-yl-1,4,10,11,14,17,20,26-octazatricyclo[20.4.0.06,11]hexacosane-2,5,12,15,18,21-hexone
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78438787ChemSpider