CHEBI:199611 - A32390A

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ChEBI Name A32390A
ChEBI ID CHEBI:199611
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H28N2O8
Net Charge 0
Average Mass 400.428
Monoisotopic Mass 400.18457
InChI InChI=1S/C18H28N2O8/c1-9(2)13(19-5)17(25)27-7-11(21)15(23)16(24)12(22)8-28-18(26)14(20-6)10(3)4/h11-12,15-16,21-24H,5-8H2,1-4H3/t11-,12-,15-,16-/m1/s1
InChIKey YNPCISSLHKFMKR-CZPYZCIJSA-N
SMILES O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)C(N=C)=C(C)C)C(N=C)=C(C)C
Metabolite of Species Details
Pyrenochaetaspecies (NCBI:txid1755437) See: PubMed
ChEBI Ontology
Outgoing A32390A (CHEBI:199611) has functional parent α-amino acid (CHEBI:33704)
A32390A (CHEBI:199611) is a organonitrogen compound (CHEBI:35352)
A32390A (CHEBI:199611) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[3-methyl-2-(methylideneamino)but-2-enoyl]oxyhexyl] 3-methyl-2-(methylideneamino)but-2-enoate
Manual Xref Database
78439607 ChemSpider
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