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CHEBI:223257 - Felipeptin A2

ChEBI IDCHEBI:223257
ChEBI NameFelipeptin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC81H117N23O23S2
Net Charge0
Average Mass1845.099
Monoisotopic Mass1843.81341
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C81H117N23O23S2/c1-5-43(4)68-79(125)101-56(31-44-12-7-6-8-13-44)75(121)103-59(80(126)127)41-129-128-40-58(78(124)98-53(30-42(2)3)77(123)104-68)102-72(118)51(24-26-60(83)107)96-70(116)50(14-9-10-28-82)95-76(122)57(34-61(84)108)100-74(120)55(33-46-18-22-48(106)23-19-46)99-71(117)52-25-27-62(109)88-35-63(110)89-36-64(111)90-37-65(112)91-38-66(113)93-49(15-11-29-87-81(85)86)69(115)92-39-67(114)94-54(73(119)97-52)32-45-16-20-47(105)21-17-45/h6-8,12-13,16-23,42-43,49-59,68,105-106H,5,9-11,14-15,24-41,82H2,1-4H3,(H2,83,107)(H2,84,108)(H,88,109)(H,89,110)(H,90,111)(H,91,112)(H,92,115)(H,93,113)(H,94,114)(H,95,122)(H,96,116)(H,97,119)(H,98,124)(H,99,117)(H,100,120)(H,101,125)(H,102,118)(H,103,121)(H,104,123)(H,126,127)(H4,85,86,87)/t43-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,68-/m0/s1
InChIKeyIEFDGMYAIUSBCB-XFQUWVNJSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies YIM 10 (ncbitaxon:2653857) - DOI (10.1016/j.isci.2020.101785)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Felipeptin A2 (CHEBI:223257) is a polypeptide (CHEBI:15841)