CHEBI:216637 - NK30424A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name NK30424A
ChEBI ID CHEBI:216637
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46N2O10S
Net Charge 0
Average Mass 626.760
Monoisotopic Mass 626.28732
InChI InChI=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+
InChIKey JOTZTCRQORWZKM-DZCRTHFOSA-N
SMILES S(C1CC(=O)OC(/C(=C/C(C(=O)CC(O)CC2CC(=O)NC(C2)=O)C)/C)C(C(O)C(C=CCC1)OC)C)CC(N)C(=O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78444425 ChemSpider
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