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CHEBI:211819 - Polysporin C

ChEBI IDCHEBI:211819
ChEBI NamePolysporin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC94H155N23O24
Net Charge0
Average Mass1991.411
Monoisotopic Mass1990.16153
SMILESCCC(C)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1)C(C)C
InChIInChI=1S/C94H155N23O24/c1-27-51(6)67(106-81(137)88(13,14)109-71(127)58(39-42-64(97)122)104-80(136)90(17,18)114-82(138)91(19,20)108-68(124)52(7)99-78(134)87(11,12)111-74(130)61-36-32-44-117(61)84(140)93(23,24)107-53(8)119)76(132)113-86(9,10)77(133)98-47-65(123)101-59(45-49(2)3)72(128)110-94(25,26)85(141)116-43-31-35-60(116)73(129)105-66(50(4)5)75(131)112-92(21,22)83(139)115-89(15,16)79(135)103-57(38-41-63(96)121)70(126)102-56(37-40-62(95)120)69(125)100-55(48-118)46-54-33-29-28-30-34-54/h28-30,33-34,49-52,55-61,66-67,118H,27,31-32,35-48H2,1-26H3,(H2,95,120)(H2,96,121)(H2,97,122)(H,98,133)(H,99,134)(H,100,125)(H,101,123)(H,102,126)(H,103,135)(H,104,136)(H,105,129)(H,106,137)(H,107,119)(H,108,124)(H,109,127)(H,110,128)(H,111,130)(H,112,131)(H,113,132)(H,114,138)(H,115,139)
InChIKeyHJSUQJOMYLOAIF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma polysporum (ncbitaxon:40695) - DOI (10.1016/0040-4039(96)00463-7)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Polysporin C (CHEBI:211819) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[1,5-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[hydroxy-[1-[2-(1-hydroxyethylideneamino)-2-methylpropanoyl]pyrrolidin-2-yl]methylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]-2-methylpropylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid
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