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CHEBI:221856 - Prunipeptin

ChEBI IDCHEBI:221856
ChEBI NamePrunipeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H110N20O29
Net Charge0
Average Mass1731.794
Monoisotopic Mass1730.77476
SMILESCC(C)CC(NC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1COC(=O)CC(C(=O)O)NC(=O)C2CC(=O)NCCCCC(NC(=O)C(CO)NC(=O)CNC(=O)C(C)NC(=O)C(C(C)O)NC1=O)C(=O)NC(C(C)O)C(=O)NC(Cc1cncn1)C(=O)NC(Cc1ccccc1)C(=O)N2)C(C)O)C(C)O)C(C)O
InChIInChI=1S/C73H110N20O29/c1-31(2)20-42(83-60(107)40(74)17-18-52(103)104)61(108)78-27-51(102)89-54(33(4)95)71(118)93-58(37(8)99)72(119)92-57(36(7)98)70(117)88-48-29-122-53(105)24-46(73(120)121)87-65(112)45-23-49(100)76-19-13-12-16-41(82-66(113)47(28-94)81-50(101)26-77-59(106)32(3)80-68(115)55(34(5)96)91-67(48)114)62(109)90-56(35(6)97)69(116)86-44(22-39-25-75-30-79-39)64(111)84-43(63(110)85-45)21-38-14-10-9-11-15-38/h9-11,14-15,25,30-37,40-48,54-58,94-99H,12-13,16-24,26-29,74H2,1-8H3,(H,75,79)(H,76,100)(H,77,106)(H,78,108)(H,80,115)(H,81,101)(H,82,113)(H,83,107)(H,84,111)(H,85,110)(H,86,116)(H,87,112)(H,88,117)(H,89,102)(H,90,109)(H,91,114)(H,92,119)(H,93,118)(H,103,104)(H,120,121)
InChIKeyGKHJDWVFCYMLIU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces prunicolor (ncbitaxon:67348) - PubMed (33360751)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Prunipeptin (CHEBI:221856) is a polypeptide (CHEBI:15841)