CHEBI:224896 - Clifednamide D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 D
ChEBI ID CHEBI:224896
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H36N2O7
Net Charge 0
Average Mass 524.614
Monoisotopic Mass 524.25225
InChI InChI=1S/C29H36N2O7/c1-14-12-20-19(26(14)15(2)32)8-7-18-17(4-3-5-24(30)34)16(13-21(18)20)6-10-23(33)27-28(37)22(31-29(27)38)9-11-25(35)36/h3,5-8,10,14,16-22,26,33H,4,9,11-13H2,1-2H3,(H2,30,34)(H,31,38)(H,35,36)/b5-3-,10-6+,27-23?/t14-,16-,17+,18-,19-,20+,21+,22+,26+/m1/s1
InChIKey MHISYGKJUDXSQZ-ABKVRGIESA-N
SMILES O=C1N[C@@H](CCC(=O)O)C(C1=C(O)/C=C/[C@H]2[C@@H]([C@H]3C=C[C@@H]4[C@@H]([C@H]3C2)C[C@@H](C)[C@H]4C(=O)C)C/C=C\C(=O)N)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Clifednamide D (CHEBI:224896) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name
3-[(2S)-4-[(E)-3-[(2S,3S,3aR,5aR,6R,7R,8aR,8bR)-6-acetyl-3-[(Z)-4-amino-4-oxobut-2-enyl]-7-methyl-1,2,3,3a,5a,6,7,8,8a,8b-decahydro-as-indacen-2-yl]-1-hydroxyprop-2-enylidene]-3,5-dioxopyrrolidin-2-yl]propanoic acid