Polysporin D (CHEBI:215992)

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CHEBI:215992 - Polysporin D

ChEBI ID	CHEBI:215992
ChEBI Name	Polysporin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C95H157N23O24
Net Charge	0
Average Mass	2005.438
Monoisotopic Mass	2004.17718
SMILES	CCC(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(=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/C95H157N23O24/c1-27-52(8)69(108-84(139)90(15,16)111-73(128)59(39-42-65(98)123)105-82(137)92(19,20)116-85(140)93(21,22)110-70(125)53(9)100-81(136)89(13,14)113-76(131)62-36-32-44-118(62)86(141)94(23,24)109-54(10)120)79(134)115-88(11,12)80(135)99-47-66(124)102-60(45-49(2)3)74(129)112-95(25,26)87(142)117-43-31-35-61(117)75(130)106-68(51(6)7)78(133)114-91(17,18)83(138)107-67(50(4)5)77(132)104-58(38-41-64(97)122)72(127)103-57(37-40-63(96)121)71(126)101-56(48-119)46-55-33-29-28-30-34-55/h28-30,33-34,49-53,56-62,67-69,119H,27,31-32,35-48H2,1-26H3,(H2,96,121)(H2,97,122)(H2,98,123)(H,99,135)(H,100,136)(H,101,126)(H,102,124)(H,103,127)(H,104,132)(H,105,137)(H,106,130)(H,107,138)(H,108,139)(H,109,120)(H,110,125)(H,111,128)(H,112,129)(H,113,131)(H,114,133)(H,115,134)(H,116,140)
InChIKey	DUEBOBVVVUDUEV-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 D (CHEBI:215992) 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-methylpentanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]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-methylpentanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediamide

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