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CHEBI:208174 - N-glutarylchaetoviridin A

ChEBI IDCHEBI:208174
ChEBI NameN-glutarylchaetoviridin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38ClNO9
Net Charge0
Average Mass604.096
Monoisotopic Mass603.22351
SMILESCC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@@H](C)OC)=C3C2=CN1[C@@H](CCC(=O)OC)C(=O)OC
InChIInChI=1S/C31H38ClNO9/c1-9-16(2)10-11-19-14-20-21(15-33(19)22(29(37)41-8)12-13-23(34)40-7)25-24(27(35)17(3)18(4)39-6)30(38)42-31(25,5)28(36)26(20)32/h10-11,14-18,22H,9,12-13H2,1-8H3/b11-10+/t16-,17-,18+,22-,31-/m0/s1
InChIKeyZVSPALUBZQVSJL-GUOUMGAYSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (31035362)
ChEBI Ontology
Outgoing Relation(s)
N-glutarylchaetoviridin A (CHEBI:208174) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
dimethyl (2S)-2-[(6aS)-5-chloro-9-[(2S,3R)-3-methoxy-2-methylbutanoyl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6,8-dioxouro[2,3-h]isoquinolin-2-yl]pentanedioate
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