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CHEBI:208319 - Tauramamide methyl ester

ChEBI IDCHEBI:208319
ChEBI NameTauramamide methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H67N9O9
Net Charge0
Average Mass878.085
Monoisotopic Mass877.50617
SMILESCOC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCCCCC(C)C
InChIInChI=1S/C45H67N9O9/c1-27(2)12-7-6-8-16-39(57)50-36(23-29-17-19-31(56)20-18-29)41(59)54-38(26-55)43(61)52-35(22-28(3)4)40(58)53-37(24-30-25-49-33-14-10-9-13-32(30)33)42(60)51-34(44(62)63-5)15-11-21-48-45(46)47/h9-10,13-14,17-20,25,27-28,34-38,49,55-56H,6-8,11-12,15-16,21-24,26H2,1-5H3,(H,50,57)(H,51,60)(H,52,61)(H,53,58)(H,54,59)(H4,46,47,48)/t34-,35+,36+,37-,38-/m0/s1
InChIKeyYCOJLQCEMMENET-CBNWJMNVSA-N
Species of MetaboliteComponentSourceComments
Brevibacillus (ncbitaxon:55080) - PubMed (18044840)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tauramamide methyl ester (CHEBI:208319) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-hydroxy-2-[[(2R)-3-(4-hydroxyphenyl)-2-(7-methyloctanoylamino)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoate
Manual XrefsDatabases
78440235ChemSpider