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CHEBI:203219 - Sch 382583

ChEBI IDCHEBI:203219
ChEBI NameSch 382583
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SubmitterMetaboLights
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FormulaC21H37N3O5
Net Charge0
Average Mass411.543
Monoisotopic Mass411.27332
SMILESCCC(=O)C(NC(=O)[C@H]1CCCNN1C(=O)[C@@H](CCC(C)C)CC(=O)O)C(C)C
InChIInChI=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
InChIKeyBNWSLKRZYHMFNA-GWFKTICUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/s0040-4039(01)00525-1)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
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78440936ChemSpider