EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221258 - Gausemycin A

ChEBI IDCHEBI:221258
ChEBI NameGausemycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC84H116ClN17O28
Net Charge0
Average Mass1847.396
Monoisotopic Mass1845.78642
SMILESCC(C)/C=C/C=C\C(=O)NCCC(=O)N[C@H](CCCN)C(=O)NC(CC(O)c1ccccc1)C(=O)NC(C(=O)N[C@@H](Cc1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)NC1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)c2ccc(Cl)cc2N)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NC1C)C(O)CC(=O)O
InChIInChI=1S/C84H116ClN17O28/c1-41(2)14-10-11-19-63(108)88-28-26-64(109)93-51(17-12-27-86)75(120)96-55(33-59(104)46-15-8-7-9-16-46)79(124)101-70(61(106)36-68(114)115)82(127)99-53(31-45-20-23-48(24-21-45)130-84-72(117)71(116)62(107)40-129-84)78(123)100-69-43(5)91-80(125)58-18-13-29-102(58)83(128)44(6)92-76(121)54(34-60(105)49-25-22-47(85)32-50(49)87)94-65(110)37-90-74(119)57(39-103)95-66(111)38-89-73(118)56(35-67(112)113)97-77(122)52(30-42(3)4)98-81(69)126/h7-11,14-16,19-25,32,41-44,51-59,61-62,69-72,84,103-104,106-107,116-117H,12-13,17-18,26-31,33-40,86-87H2,1-6H3,(H,88,108)(H,89,118)(H,90,119)(H,91,125)(H,92,121)(H,93,109)(H,94,110)(H,95,111)(H,96,120)(H,97,122)(H,98,126)(H,99,127)(H,100,123)(H,101,124)(H,112,113)(H,114,115)/b14-10+,19-11-/t43?,44-,51+,52+,53-,54-,55?,56-,57-,58-,59?,61?,62-,69?,70?,71-,72+,84-/m0/s1
InChIKeyPMTCHUARAZYWIB-ORKFZHLJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/anie.202104528)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gausemycin A (CHEBI:221258) is a peptide (CHEBI:16670)