CHEBI:211361 - Xiamenmycin A

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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 Xiamenmycin A
ChEBI ID CHEBI:211361
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H29NO6
Net Charge 0
Average Mass 391.464
Monoisotopic Mass 391.19949
InChI InChI=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
InChIKey JEQRSDJVWOFRBQ-HTRFZCGXSA-N
SMILES O=C(N[C@H](C(=O)O)[C@H](O)C)C1=CC2=C(O[C@@](CCC=C(C)C)(C)[C@H](C2)O)C=C1
Metabolite of Species Details
Streptomyces xiamenensis (NCBI:txid408015) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
58197122 ChemSpider
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