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CHEBI:206412 - Sch 382582

ChEBI IDCHEBI:206412
ChEBI NameSch 382582
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H39N3O5S
Net Charge0
Average Mass457.637
Monoisotopic Mass457.26104
SMILESCSCCC(=O)C(NC(=O)[C@H]1CCCNN1C(=O)[C@@H](CCC(C)C)CC(=O)O)C(C)C
InChIInChI=1S/C22H39N3O5S/c1-14(2)8-9-16(13-19(27)28)22(30)25-17(7-6-11-23-25)21(29)24-20(15(3)4)18(26)10-12-31-5/h14-17,20,23H,6-13H2,1-5H3,(H,24,29)(H,27,28)/t16-,17+,20?/m0/s1
InChIKeyZCZWTLHIYPQBNJ-QJNHQHDKSA-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 382582 (CHEBI:206412) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(3S)-6-methyl-3-[(6R)-6-[(2-methyl-6-methylsulanyl-4-oxohexan-3-yl)carbamoyl]diazinane-1-carbonyl]heptanoic acid
Manual XrefsDatabases
78441267ChemSpider