CHEBI:206752 - Luteoalbusin A

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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 Luteoalbusin A
ChEBI ID CHEBI:206752
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H20N4O3S2
Net Charge 0
Average Mass 464.560
Monoisotopic Mass 464.09768
InChI InChI=1S/C23H20N4O3S2/c1-26-19(29)22-11-21(15-10-24-16-8-4-2-6-13(15)16)14-7-3-5-9-17(14)25-18(21)27(22)20(30)23(26,12-28)32-31-22/h2-10,18,24-25,28H,11-12H2,1H3/t18-,21-,22+,23+/m1/s1
InChIKey XHPIWHHLWCZQEF-QQUTXWOLSA-N
SMILES S1S[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4(C2)C=6C7=C(C=CC=C7)NC6)C([C@]1(N(C)C3=O)CO)=O
Metabolite of Species Details
Acrostalagmus (NCBI:txid461148) See: PubMed
ChEBI Ontology
Outgoing Luteoalbusin A (CHEBI:206752) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,3S,11R,14S)-14-(hydroxymethyl)-3-(1H-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Manual Xref Database
28533884 ChemSpider
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