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CHEBI:199054 - Agardhipeptin B

ChEBI IDCHEBI:199054
ChEBI NameAgardhipeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H69N11O8
Net Charge0
Average Mass1036.248
Monoisotopic Mass1035.53306
SMILESCC(C)C[C@H]1NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C57H69N11O8/c1-31(2)24-46-57(76)68-23-13-21-48(68)54(73)62-43(25-34-28-58-40-17-9-6-14-37(34)40)50(69)61-33(5)56(75)67-22-12-20-47(67)53(72)63-45(27-36-30-60-42-19-11-8-16-39(36)42)52(71)66-49(32(3)4)55(74)64-44(51(70)65-46)26-35-29-59-41-18-10-7-15-38(35)41/h6-11,14-19,28-33,43-49,58-60H,12-13,20-27H2,1-5H3,(H,61,69)(H,62,73)(H,63,72)(H,64,74)(H,65,70)(H,66,71)/t33-,43-,44-,45-,46+,47+,48-,49-/m0/s1
InChIKeyGFHJBYMOXXILNJ-UXUZVHTOSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/0040-4020(96)00775-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Agardhipeptin B (CHEBI:199054) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,15R,18S,21S,24S,27R)-6,18,24-tris(1H-indol-3-ylmethyl)-3-methyl-15-(2-methylpropyl)-21-propan-2-yl-1,4,7,13,16,19,22,25-octazatricyclo[25.3.0.09,13]triacontane-2,5,8,14,17,20,23,26-octone
Manual XrefsDatabases
78436448ChemSpider