CHEBI:198963 - Citrinadin C

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 Citrinadin C
ChEBI ID CHEBI:198963
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H50N4O6
Net Charge 0
Average Mass 610.796
Monoisotopic Mass 610.37304
InChI InChI=1S/C34H50N4O6/c1-18(2)24(35-8)28(40)43-21-13-19(3)38-17-32(36-9)16-33(31(6,7)34(32,42)15-20(38)14-21)23-12-10-11-22(25(23)37-29(33)41)26(39)27-30(4,5)44-27/h10-12,18-21,24,27,35-36,42H,13-17H2,1-9H3,(H,37,41)/t19-,20+,21+,24-,27+,32+,33-,34-/m0/s1
InChIKey QADGRUZLZSCZEY-HJQJXPTNSA-N
SMILES O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@@H](NC)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C
Metabolite of Species Details
Pseudoalteromonasspecies OT59 (NCBI:txid1460272) See: PubMed
ChEBI Ontology
Outgoing Citrinadin C (CHEBI:198963) has functional parent δ-amino acid (CHEBI:35931)
Citrinadin C (CHEBI:198963) is a organonitrogen compound (CHEBI:35352)
Citrinadin C (CHEBI:198963) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(3R,3'aR,6'S,8'R,9'aR,10'aS)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-10'a-hydroxy-1',1',6'-trimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-3,4,6,7,8,9,9a,10-octahydrocyclopenta[b]quinolizine]-8'-yl] (2S)-3-methyl-2-(methylamino)butanoate
Manual Xref Database
78440031 ChemSpider
View more database links