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CHEBI:227422 - [(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(2-methylpropanoylamino)propanoate

ChEBI IDCHEBI:227422
ChEBI Name[(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(2-methylpropanoylamino)propanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46N2O7
Net Charge0
Average Mass582.738
Monoisotopic Mass582.33050
SMILESCO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C(C)C)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1
InChIInChI=1S/C33H46N2O7/c1-21(2)32(39)34-24(5)33(40)42-29-16-11-9-7-8-10-15-28(41-6)20-30(37)35-26-17-25(18-27(36)19-26)14-12-13-22(3)31(38)23(29)4/h7-11,13,15,17-19,21,23-24,28-29,31,36,38H,12,14,16,20H2,1-6H3,(H,34,39)(H,35,37)/b8-7+,11-9+,15-10+,22-13-/t23-,24+,28-,29-,31-/m0/s1
InChIKeyKPTPBSALIDLRFH-UMHDIFAFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces seoulensis (ncbitaxon:73044) - PubMed (26058569)
ChEBI Ontology
Outgoing Relation(s)
[(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(2-methylpropanoylamino)propanoate (CHEBI:227422) is a azamacrocycle (CHEBI:52898)
[(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(2-methylpropanoylamino)propanoate (CHEBI:227422) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(2-methylpropanoylamino)propanoate
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