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CHEBI:216637 - NK30424A

ChEBI IDCHEBI:216637
ChEBI NameNK30424A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46N2O10S
Net Charge0
Average Mass626.769
Monoisotopic Mass626.28732
SMILESCOC1/C=C\CCC(SCC(N)C(=O)O)CC(=O)OC(/C(C)=C/C(C)C(=O)CC(O)CC2CC(=O)NC(=O)C2)C(C)C1O
InChIInChI=1S/C30H46N2O10S/c1-16(23(34)13-20(33)10-19-11-25(35)32-26(36)12-19)9-17(2)29-18(3)28(38)24(41-4)8-6-5-7-21(14-27(37)42-29)43-15-22(31)30(39)40/h6,8-9,16,18-22,24,28-29,33,38H,5,7,10-15,31H2,1-4H3,(H,39,40)(H,32,35,36)/b8-6-,17-9+
InChIKeyJOTZTCRQORWZKM-DZCRTHFOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11858670)
ChEBI Ontology
Outgoing Relation(s)
NK30424A (CHEBI:216637) is a macrolide (CHEBI:25106)
IUPAC Name 
2-amino-3-[[(7Z)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulanyl]propanoic acid
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