CHEBI:227512 - Melearoride B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Melearoride B
ChEBI ID CHEBI:227512
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H49NO7
Net Charge 0
Average Mass 535.722
Monoisotopic Mass 535.35090
InChI InChI=1S/C30H49NO7/c1-6-9-23(32)19-25-15-12-21(2)10-7-8-11-28(34)31(5)26(29(35)38-25)18-22-13-16-24(17-14-22)37-20-27(33)30(3,4)36/h13-14,16-17,21,23,25-27,32-33,36H,6-12,15,18-20H2,1-5H3/t21-,23+,25+,26+,27?/m1/s1
InChIKey NQXOQGLCLMWMTQ-JNNGLPOXSA-N
SMILES O=C1O[C@@H](CC[C@@H](CCCCC(N([C@H]1CC2=CC=C(OCC(O)C(O)(C)C)C=C2)C)=O)C)C[C@@H](O)CCC
Metabolite of Species Details
Penicillium meleagrinum var. viridiflavum (NCBI:txid439017) See: PubMed
ChEBI Ontology
Outgoing Melearoride B (CHEBI:227512) is a lactam (CHEBI:24995)
Melearoride B (CHEBI:227512) is a macrolide (CHEBI:25106)
IUPAC Name
(3S,10R,13S)-3-[[4-(2,3-dihydroxy-3-methylbutoxy)phenyl]methyl]-13-[(2S)-2-hydroxypentyl]-4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione
Manual Xref Database
58196765 ChemSpider
View more database links