EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211151 - Wollamide A

Default Structure
ChEBI IDCHEBI:211151
ChEBI NameWollamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H59N9O7
Net Charge0
Average Mass753.946
Monoisotopic Mass753.45375
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H](CCCN)NC(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C38H59N9O7/c1-7-22(6)32-38(54)46-30(18-31(40)48)36(52)42-26(13-10-14-39)33(49)45-29(17-23-19-41-25-12-9-8-11-24(23)25)35(51)43-27(15-20(2)3)34(50)44-28(16-21(4)5)37(53)47-32/h8-9,11-12,19-22,26-30,32,41H,7,10,13-18,39H2,1-6H3,(H2,40,48)(H,42,52)(H,43,51)(H,44,50)(H,45,49)(H,46,54)(H,47,53)/t22-,26-,27+,28-,29+,30+,32+/m1/s1
InChIKeyJWGCPEABTDQERH-NGYXRNFPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25229313)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Wollamide A (CHEBI:211151) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(2S,5R,8S,11S,14R,17S)-5-(3-aminopropyl)-17-[(2R)-butan-2-yl]-8-(1H-indol-3-ylmethyl)-11,14-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Manual XrefsDatabases
78440470ChemSpider