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CHEBI:215450 - Lyngbyaureidamide A

ChEBI IDCHEBI:215450
ChEBI NameLyngbyaureidamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H61N7O9
Net Charge0
Average Mass856.034
Monoisotopic Mass855.45308
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O
InChIInChI=1S/C46H61N7O9/c1-5-29(2)39-43(58)49-37(26-22-32-19-23-34(54)24-20-32)44(59)53(4)30(3)40(55)48-36(25-21-31-14-8-6-9-15-31)41(56)47-27-13-12-18-35(42(57)52-39)50-46(62)51-38(45(60)61)28-33-16-10-7-11-17-33/h6-11,14-17,19-20,23-24,29-30,35-39,54H,5,12-13,18,21-22,25-28H2,1-4H3,(H,47,56)(H,48,55)(H,49,58)(H,52,57)(H,60,61)(H2,50,51,62)/t29-,30-,35+,36-,37-,38+,39-/m0/s1
InChIKeyZVBYTSYOIZDMNC-DTHOHZKXSA-N
Species of MetaboliteComponentSourceComments
Tenebriellaspecies SAG 36.91 (ncbitaxon:1633186) - PubMed (22152977)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lyngbyaureidamide A (CHEBI:215450) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R)-2-[[(3S,6S,9S,12S,15R)-12-[(2S)-butan-2-yl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-3-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
78443415ChemSpider