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CHEBI:211361 - Xiamenmycin A

ChEBI IDCHEBI:211361
ChEBI NameXiamenmycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29NO6
Net Charge0
Average Mass391.464
Monoisotopic Mass391.19949
SMILESCC(C)=CCC[C@@]1(C)Oc2ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc2C[C@@H]1O
InChIInChI=1S/C21H29NO6/c1-12(2)6-5-9-21(4)17(24)11-15-10-14(7-8-16(15)28-21)19(25)22-18(13(3)23)20(26)27/h6-8,10,13,17-18,23-24H,5,9,11H2,1-4H3,(H,22,25)(H,26,27)/t13-,17+,18+,21-/m1/s1
InChIKeyJEQRSDJVWOFRBQ-HTRFZCGXSA-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 A (CHEBI:211361) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[[(2R,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid
Manual XrefsDatabases
58197122ChemSpider