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CHEBI:200801 - Lyngbyaureidamide B

ChEBI IDCHEBI:200801
ChEBI NameLyngbyaureidamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H59N7O9
Net Charge0
Average Mass842.007
Monoisotopic Mass841.43743
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O
InChIInChI=1S/C45H59N7O9/c1-5-28(2)38-42(57)47-35(24-21-30-19-22-33(53)23-20-30)43(58)52(4)29(3)39(54)48-36(26-31-14-8-6-9-15-31)40(55)46-25-13-12-18-34(41(56)51-38)49-45(61)50-37(44(59)60)27-32-16-10-7-11-17-32/h6-11,14-17,19-20,22-23,28-29,34-38,53H,5,12-13,18,21,24-27H2,1-4H3,(H,46,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H2,49,50,61)/t28-,29-,34+,35-,36-,37+,38-/m0/s1
InChIKeyHLRSUXYDFOFRIS-TVMQHBNISA-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 B (CHEBI:200801) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-12-[(2S)-butan-2-yl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
78443378ChemSpider