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CHEBI:204980 - 15G256delta

ChEBI IDCHEBI:204980
ChEBI Name15G256delta
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46N4O10
Net Charge0
Average Mass658.749
Monoisotopic Mass658.32139
SMILESCCCCCCCC[C@H]1COC(=O)[C@H](CO)NC(=O)[C@H](C(=O)c2cnc3ccccc23)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)[C@H]1O
InChIInChI=1S/C33H46N4O10/c1-3-4-5-6-7-8-11-20-18-47-33(46)25(17-38)36-32(45)27(29(42)22-16-34-23-13-10-9-12-21(22)23)37-31(44)24(14-15-26(39)40)35-30(43)19(2)28(20)41/h9-10,12-13,16,19-20,24-25,27-28,34,38,41H,3-8,11,14-15,17-18H2,1-2H3,(H,35,43)(H,36,45)(H,37,44)(H,39,40)/t19-,20-,24+,25-,27-,28+/m0/s1
InChIKeyVGYBJLIFUDBDBW-SKWPSWOWSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (9589066)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
15G256delta (CHEBI:204980) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3S,6S,9R,12S,13S,14S)-13-hydroxy-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-14-octyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclopentadec-9-yl]propanoic acid
Manual XrefsDatabases
8755566ChemSpider