EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218497 - Xiamenmycin D

ChEBI IDCHEBI:218497
ChEBI NameXiamenmycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO6
Net Charge0
Average Mass405.491
Monoisotopic Mass405.21514
SMILESCOC(=O)[C@@H](NC(=O)c1ccc2c(c1)C[C@H](O)[C@@](C)(CCC=C(C)C)O2)[C@@H](C)O
InChIInChI=1S/C22H31NO6/c1-13(2)7-6-10-22(4)18(25)12-16-11-15(8-9-17(16)29-22)20(26)23-19(14(3)24)21(27)28-5/h7-9,11,14,18-19,24-25H,6,10,12H2,1-5H3,(H,23,26)/t14-,18+,19+,22-/m1/s1
InChIKeyXUZVOJITPJGHEG-LJRRSDMTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces xiamenensis (ncbitaxon:408015) - DOI (10.3390/md10030639)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Xiamenmycin D (CHEBI:218497) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl (2S,3R)-3-hydroxy-2-[[(2R,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoate
Manual XrefsDatabases
78442804ChemSpider