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CHEBI:223771 - WA8242 B

ChEBI IDCHEBI:223771
ChEBI NameWA8242 B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76N2O7
Net Charge0
Average Mass697.055
Monoisotopic Mass696.56525
SMILESCC(C)CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H](CCCC(=O)O)C(=O)O[C@@H](CCCCCCCCCCCC(C)C)CC(N)=O
InChIInChI=1S/C40H76N2O7/c1-32(2)24-19-15-11-7-5-9-13-17-21-26-34(43)30-38(45)42-36(28-23-29-39(46)47)40(48)49-35(31-37(41)44)27-22-18-14-10-6-8-12-16-20-25-33(3)4/h32-36,43H,5-31H2,1-4H3,(H2,41,44)(H,42,45)(H,46,47)/t34-,35-,36-/m0/s1
InChIKeyGBJZUVQTZBGBFB-KVBYWJEESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29193967)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
WA8242 B (CHEBI:223771) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(5S)-6-[(3S)-1-amino-15-methyl-1-oxohexadecan-3-yl]oxy-5-[[(3S)-3-hydroxy-15-methylhexadecanoyl]amino]-6-oxohexanoic acid
Manual XrefsDatabases
8115522ChemSpider