Polysporin B (CHEBI:200846)

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

CHEBI:200846 - Polysporin B

ChEBI ID	CHEBI:200846
ChEBI Name	Polysporin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C93H153N23O24
Net Charge	0
Average Mass	1977.384
Monoisotopic Mass	1976.14588
SMILES	CC(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(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)C(C)C
InChI	InChI=1S/C93H153N23O24/c1-48(2)44-58(71(127)109-93(25,26)84(140)115-42-30-34-59(115)72(128)104-65(49(3)4)74(130)112-91(21,22)82(138)114-88(15,16)78(134)102-56(37-40-62(95)120)69(125)101-55(36-39-61(94)119)68(124)99-54(47-117)45-53-32-28-27-29-33-53)100-64(122)46-97-76(132)85(9,10)111-75(131)66(50(5)6)105-80(136)87(13,14)108-70(126)57(38-41-63(96)121)103-79(135)89(17,18)113-81(137)90(19,20)107-67(123)51(7)98-77(133)86(11,12)110-73(129)60-35-31-43-116(60)83(139)92(23,24)106-52(8)118/h27-29,32-33,48-51,54-60,65-66,117H,30-31,34-47H2,1-26H3,(H2,94,119)(H2,95,120)(H2,96,121)(H,97,132)(H,98,133)(H,99,124)(H,100,122)(H,101,125)(H,102,134)(H,103,135)(H,104,128)(H,105,136)(H,106,118)(H,107,123)(H,108,126)(H,109,127)(H,110,129)(H,111,131)(H,112,130)(H,113,137)(H,114,138)
InChIKey	DYFMYLDXOHIWIW-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
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 B (CHEBI:200846) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediamide

IUPAC Name

2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediamide

Manual Xrefs	Databases
78444777	ChemSpider