CHEBI:226037 - Iakyricidin B

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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 Iakyricidin B
ChEBI ID CHEBI:226037
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H43NO5
Net Charge 0
Average Mass 485.665
Monoisotopic Mass 485.31412
InChI InChI=1S/C29H43NO5/c1-11-18(4)24-23(21(7)27(32)29(24,8)33)19(5)15-17(3)14-16(2)12-13-22-20(6)25(31)26(34-9)28(30-22)35-10/h11-12,15,21,23-24,27,32-33H,5,13-14H2,1-4,6-10H3,(H,30,31)/b16-12+,17-15+,18-11+/t21-,23-,24-,27+,29-/m0/s1
InChIKey VGOVLJPTSLVOIH-HWBPDTFXSA-N
SMILES O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C(=C/C(=C)[C@@H]2[C@H](/C(=C/C)/C)[C@@](O)(C)[C@@H]([C@H]2C)O)/C)\C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Iakyricidin B (CHEBI:226037) is a diterpenoid (CHEBI:23849)
IUPAC Name
2-[(2E,5E)-7-[(1S,2R,3S,4R,5S)-2-[(E)-but-2-en-2-yl]-3,4-dihydroxy-3,5-dimethylcyclopentyl]-3,5-dimethylocta-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
Manual Xref Database
77006259 ChemSpider
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