CHEBI:210401 - Okaramine I

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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 Okaramine I
ChEBI ID CHEBI:210401
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H24N4O3
Net Charge 0
Average Mass 452.514
Monoisotopic Mass 452.18484
InChI InChI=1S/C27H24N4O3/c1-26(2)11-12-30-20(13-16-15-7-3-5-9-18(15)28-22(16)26)24(33)31-21(23(30)32)14-27(34)17-8-4-6-10-19(17)29-25(27)31/h3-13,21,25,28-29,34H,14H2,1-2H3/b12-11-,20-13-/t21-,25+,27-/m1/s1
InChIKey CTRNZLRKISVIAG-LBJKZLEUSA-N
SMILES O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(O)C[C@@H]2C(=O)N5C1=CC=6C7=C(C=CC=C7)NC6C(C=C5)(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Okaramine I (CHEBI:210401) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1Z,4S,12R,14R,17Z)-12-hydroxy-19,19-dimethyl-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione
Manual Xref Database
8751008 ChemSpider
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