CHEBI:222066 - Citrinadin D

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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 Citrinadin D
ChEBI ID CHEBI:222066
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H48N4O6
Net Charge 0
Average Mass 596.769
Monoisotopic Mass 596.35739
InChI InChI=1S/C33H48N4O6/c1-17(2)23(34)27(39)42-20-12-18(3)37-16-31(35-8)15-32(30(6,7)33(31,41)14-19(37)13-20)22-11-9-10-21(24(22)36-28(32)40)25(38)26-29(4,5)43-26/h9-11,17-20,23,26,35,41H,12-16,34H2,1-8H3,(H,36,40)/t18-,19+,20+,23-,26+,31+,32-,33-/m0/s1
InChIKey JBDQCKJFWOEAKF-HYFDBWGLSA-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](N)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 D (CHEBI:222066) has functional parent δ-amino acid (CHEBI:35931)
Citrinadin D (CHEBI:222066) is a organonitrogen compound (CHEBI:35352)
Citrinadin D (CHEBI:222066) 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)-2-amino-3-methylbutanoate
Manual Xref Database
78440294 ChemSpider
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