CHEBI:202829 - Chaetomugilide A

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ChEBI Name Chaetomugilide A
ChEBI ID CHEBI:202829
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30ClNO6
Net Charge 0
Average Mass 499.990
Monoisotopic Mass 499.17617
InChI InChI=1S/C27H30ClNO6/c1-6-15(3)10-11-17-13-18-19(14-29(17)12-8-9-20(30)31)22-21(24(32)16(4)7-2)26(34)35-27(22,5)25(33)23(18)28/h7,10-11,13-15H,6,8-9,12H2,1-5H3,(H,30,31)/t15-,27-/m0/s1
InChIKey SRHMVVABWPFZIM-QZXCRCNTSA-N
SMILES ClC1=C2C(C3=C(C(=O)C(=CC)C)C(O[C@@]3(C1=O)C)=O)=CN(CCCC(=O)O)C(=C2)C=C[C@H](CC)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Chaetomugilide A (CHEBI:202829) is a isoquinolines (CHEBI:24922)
IUPAC Name
4-[(6aS)-5-chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3S)-3-methylpent-1-enyl]-6,8-dioxouro[2,3-h]isoquinolin-2-yl]butanoic acid
Manual Xref Database
78440913 ChemSpider
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