CHEBI:227100 - Iso-naseseazine 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 Iso-naseseazine B
ChEBI ID CHEBI:227100
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H32N6O4
Net Charge 0
Average Mass 564.646
Monoisotopic Mass 564.24850
InChI InChI=1S/C32H32N6O4/c39-27-24-7-3-11-36(24)28(40)23(34-27)13-17-16-33-22-14-18(9-10-19(17)22)32-15-26-29(41)37-12-4-8-25(37)30(42)38(26)31(32)35-21-6-2-1-5-20(21)32/h1-2,5-6,9-10,14,16,23-26,31,33,35H,3-4,7-8,11-13,15H2,(H,34,39)/t23-,24-,25-,26-,31-,32+/m0/s1
InChIKey SUNBJXDNKYSACE-QWEVHVQISA-N
SMILES O=C1N2[C@H](C(=O)N[C@H]1CC=3C4=C(C=C([C@]56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@@H]9CCCN9C([C@@H]8C6)=O)C=C4)NC3)CCC2
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Iso-naseseazine B (CHEBI:227100) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,4S,10S,12R)-12-[3-[[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-6-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
Manual Xref Database
40256716 ChemSpider
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