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CHEBI:221225 - Stlabetain

ChEBI IDCHEBI:221225
ChEBI NameStlabetain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC84H117N19O19
Net Charge0
Average Mass1696.974
Monoisotopic Mass1695.87731
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C84H117N19O19/c1-13-45(10)70-82(119)101-67(42(4)5)79(116)94-55(29-30-63(85)104)72(109)90-46(11)71(108)95-60(37-65(106)92-56(32-41(2)3)77(114)99-68(43(6)7)80(117)100-69(44(8)9)81(118)102-70)76(113)96-58(35-50-39-88-54-27-20-18-25-52(50)54)75(112)97-59(36-64(86)105)73(110)91-47(12)83(120)103-31-21-28-62(103)78(115)89-40-66(107)93-57(34-49-38-87-53-26-19-17-24-51(49)53)74(111)98-61(84(121)122)33-48-22-15-14-16-23-48/h14-20,22-27,38-39,41-47,55-62,67-70,87-88H,13,21,28-37,40H2,1-12H3,(H2,85,104)(H2,86,105)(H,89,115)(H,90,109)(H,91,110)(H,92,106)(H,93,107)(H,94,116)(H,95,108)(H,96,113)(H,97,112)(H,98,111)(H,99,114)(H,100,117)(H,101,119)(H,102,118)(H,121,122)/t45-,46-,47-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-,70-/m0/s1
InChIKeyOWYJGJDERIGZOT-OEWGAXMZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1039/d1sc02695j)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Stlabetain (CHEBI:221225) is a peptide (CHEBI:16670)