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CHEBI:222497 - Paenithopeptin C

ChEBI IDCHEBI:222497
ChEBI NamePaenithopeptin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC91H143N21O24S3
Net Charge0
Average Mass2011.469
Monoisotopic Mass2009.97770
SMILESC/C=C(\NC(=O)/C(=C/C)NC(=O)C(NC(=O)CNC(=O)C(C)NC(=O)C(N)CC(=O)O)C(C)CC)C(=O)NC(C(=O)NC(C(=O)N/C(=C\C)C(=O)NC(C(=O)NC1CSSCC(C(=O)O)NC(=O)C2CSCC3(CC(NC1=O)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)N3)C(=O)NC(C(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)N2)C(C)CC)C(C)CC)C(C)CC
InChIInChI=1S/C91H143N21O24S3/c1-19-46(14)68(106-64(114)38-94-72(117)50(18)95-73(118)53(93)36-65(115)116)85(130)97-54(23-5)74(119)96-55(24-6)75(120)109-71(49(17)22-4)88(133)110-70(48(16)21-3)86(131)98-56(25-7)76(121)108-69(47(15)20-2)87(132)104-62-40-138-139-41-63(89(134)135)105-80(125)61-39-137-42-91(37-60(102-81(62)126)79(124)107-66(44(10)11)83(128)100-58(34-43(8)9)82(127)112-91)90(136)111-67(45(12)13)84(129)101-59(35-51-29-31-52(113)32-30-51)78(123)99-57(77(122)103-61)28-26-27-33-92/h23-25,29-32,43-50,53,57-63,66-71,113H,19-22,26-28,33-42,92-93H2,1-18H3,(H,94,117)(H,95,118)(H,96,119)(H,97,130)(H,98,131)(H,99,123)(H,100,128)(H,101,129)(H,102,126)(H,103,122)(H,104,132)(H,105,125)(H,106,114)(H,107,124)(H,108,121)(H,109,120)(H,110,133)(H,111,136)(H,112,127)(H,115,116)(H,134,135)/b54-23-,55-24-,56-25-
InChIKeyRTEBRARALHVIFW-FXMHLCCDSA-N
Species of MetaboliteComponentSourceComments
Paenibacillus (ncbitaxon:44249) - PubMed (35347143)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Paenithopeptin C (CHEBI:222497) is a polypeptide (CHEBI:15841)