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CHEBI:223252 - Felipeptin A1

ChEBI IDCHEBI:223252
ChEBI NameFelipeptin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC91H128N26O23S2
Net Charge0
Average Mass2018.318
Monoisotopic Mass2016.90871
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc3cc4ccccc4n3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(C)C)CSSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](Cc2cc3ccccc3n2)NC1=O
InChIInChI=1S/C91H128N26O23S2/c1-7-48(6)75-87(137)111-62(37-53-35-51-21-12-14-23-55(51)103-53)80(130)114-66(84(134)112-63(89(139)140)38-73(124)125)45-142-141-44-65(83(133)110-59(32-46(2)3)81(131)116-75)113-78(128)57(25-16-30-97-91(94)95)108-86(136)74(47(4)5)115-72(123)42-101-85(135)67-26-17-31-117(67)88(138)58-27-28-68(119)98-39-69(120)106-64(43-118)82(132)107-56(24-15-29-96-90(92)93)76(126)99-40-71(122)105-61(36-52-34-50-20-11-13-22-54(50)102-52)77(127)100-41-70(121)104-60(79(129)109-58)33-49-18-9-8-10-19-49/h8-14,18-23,34-35,46-48,56-67,74-75,102-103,118H,7,15-17,24-33,36-45H2,1-6H3,(H,98,119)(H,99,126)(H,100,127)(H,101,135)(H,104,121)(H,105,122)(H,106,120)(H,107,132)(H,108,136)(H,109,129)(H,110,133)(H,111,137)(H,112,134)(H,113,128)(H,114,130)(H,115,123)(H,116,131)(H,124,125)(H,139,140)(H4,92,93,96)(H4,94,95,97)/t48-,56?,57-,58-,59-,60-,61-,62-,63-,64?,65-,66-,67-,74-,75-/m0/s1
InChIKeyJUKANPGZTHRFAE-YXAPNRSXSA-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 A1 (CHEBI:223252) is a polypeptide (CHEBI:15841)