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CHEBI:210965 - Asperversiamide A

ChEBI IDCHEBI:210965
ChEBI NameAsperversiamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H52N8O9
Net Charge0
Average Mass776.892
Monoisotopic Mass776.38573
SMILESCC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@@H](CO)NC1=O
InChIInChI=1S/C39H52N8O9/c1-20(2)31-38(55)43-27(15-23-11-7-6-8-12-23)35(52)47-32(21(3)4)39(56)45-30(19-49)37(54)42-28(16-24-17-40-26-14-10-9-13-25(24)26)34(51)44-29(18-48)36(53)41-22(5)33(50)46-31/h6-14,17,20-22,27-32,40,48-49H,15-16,18-19H2,1-5H3,(H,41,53)(H,42,54)(H,43,55)(H,44,51)(H,45,56)(H,46,50)(H,47,52)/t22-,27+,28-,29+,30-,31-,32-/m1/s1
InChIKeyLAHBJGXQZAEQIP-ZNXJBYIFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472)
- PubMed (30623956)
- PubMed (30016097)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asperversiamide A (CHEBI:210965) is a oligopeptide (CHEBI:25676)
IUPAC Names 
(3S,6R,9R,12S,15R,18R,21R)-3-benzyl-12,18-bis(hydroxymethyl)-15-(1H-indol-3-ylmethyl)-9-methyl-6,21-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
(1R,3R,17S,19R)-3-hydroxy-9,9,16,16-tetramethyl-10-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.06,11.019,23]hexacosa-4(13),5,7,11,14-pentaene-24,26-dione
Manual XrefsDatabases
71116044ChemSpider
68007494ChemSpider