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CHEBI:214351 - Ansamitocin-P-2

ChEBI IDCHEBI:214351
ChEBI NameAnsamitocin-P-2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H41ClN2O9
Net Charge0
Average Mass621.127
Monoisotopic Mass620.25006
SMILESCCC(=O)O[C@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C
InChIInChI=1S/C31H41ClN2O9/c1-8-26(36)42-24-15-25(35)34(5)20-13-19(14-21(39-6)27(20)32)12-17(2)10-9-11-23(40-7)31(38)16-22(41-29(37)33-31)18(3)28-30(24,4)43-28/h9-11,13-14,18,22-24,28,38H,8,12,15-16H2,1-7H3,(H,33,37)/b11-9+,17-10+/t18-,22+,23-,24+,28+,30+,31+/m1/s1
InChIKeyDGBBXVWXOHSLTG-UMDRASRXSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (593392)
ChEBI Ontology
Outgoing Relation(s)
Ansamitocin-P-2 (CHEBI:214351) is a azamacrocycle (CHEBI:52898)
Ansamitocin-P-2 (CHEBI:214351) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] propanoate
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