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CHEBI:199942 - Thalabetaospiramide G

ChEBI IDCHEBI:199942
ChEBI NameThalabetaospiramide G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H51N5O8
Net Charge0
Average Mass669.820
Monoisotopic Mass669.37376
SMILESCCCCCC/C=C\CC(=O)N[C@@H](CO)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@H](/C=C/C(=O)NCC(=O)c1cnc2ccccc12)CO)C(C)C
InChIInChI=1S/C35H51N5O8/c1-4-5-6-7-8-9-10-15-32(46)39-28(22-42)29(43)18-33(47)40-34(23(2)3)35(48)38-24(21-41)16-17-31(45)37-20-30(44)26-19-36-27-14-12-11-13-25(26)27/h9-14,16-17,19,23-24,28-29,34,36,41-43H,4-8,15,18,20-22H2,1-3H3,(H,37,45)(H,38,48)(H,39,46)(H,40,47)/b10-9-,17-16+/t24-,28+,29+,34+/m1/s1
InChIKeyMAWWHIDXIGOQDF-PJEXCTIDSA-N
Species of MetaboliteComponentSourceComments
Thalassospiraspecies (ncbitaxon:1912094) - PubMed (23442790)
ChEBI Ontology
Outgoing Relation(s)
Thalabetaospiramide G (CHEBI:199942) is a indoles (CHEBI:24828)
IUPAC Name 
(Z)-N-[(2S,3S)-1,3-dihydroxy-5-[[(2S)-1-[[(E,2R)-1-hydroxy-5-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-5-oxopent-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentan-2-yl]dec-3-enamide
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