CHEBI:203219 - Sch 382583

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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 Sch 382583
ChEBI ID CHEBI:203219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H37N3O5
Net Charge 0
Average Mass 411.543
Monoisotopic Mass 411.27332
InChI InChI=1S/C21H37N3O5/c1-6-17(25)19(14(4)5)23-20(28)16-8-7-11-22-24(16)21(29)15(12-18(26)27)10-9-13(2)3/h13-16,19,22H,6-12H2,1-5H3,(H,23,28)(H,26,27)/t15-,16+,19?/m0/s1
InChIKey BNWSLKRZYHMFNA-GWFKTICUSA-N
SMILES O=C(NC(C(=O)CC)C(C)C)[C@@H]1N(NCCC1)C(=O)[C@H](CC(=O)O)CCC(C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Sch 382583 (CHEBI:203219) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(3S)-6-methyl-3-[(6R)-6-[(2-methyl-4-oxohexan-3-yl)carbamoyl]diazinane-1-carbonyl]heptanoic acid
Manual Xref Database
78440936 ChemSpider
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