CHEBI:224914 - Clifednamide G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Clifednamide G
ChEBI ID CHEBI:224914
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H34N2O7
Net Charge 0
Average Mass 522.598
Monoisotopic Mass 522.23660
InChI InChI=1S/C29H34N2O7/c1-16-15-21-19(18(7-3-6-10-24(30)34)11-12-20(21)26(16)17(2)32)8-4-5-9-23(33)27-28(37)22(31-29(27)38)13-14-25(35)36/h3-12,16,18-22,26,33H,13-15H2,1-2H3,(H2,30,34)(H,31,38)(H,35,36)/b7-3+,8-4+,9-5+,10-6+,27-23?/t16-,18+,19+,20-,21-,22+,26+/m1/s1
InChIKey FHKOBILSYIITHS-LMPYDYSBSA-N
SMILES O=C1N[C@@H](CCC(=O)O)C(C1=C(O)/C=C/C=C/[C@H]2[C@H](C=C[C@@H]3[C@@H]2C[C@@H](C)[C@H]3C(=O)C)/C=C/C=C/C(=O)N)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Clifednamide G (CHEBI:224914) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name
3-[(2S)-4-[(2E,4E)-5-[(1R,2R,3aR,4R,5S,7aR)-1-acetyl-5-[(1E,3E)-5-amino-5-oxopenta-1,3-dienyl]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-1-hydroxypenta-2,4-dienylidene]-3,5-dioxopyrrolidin-2-yl]propanoic acid