Tylopeptin A (CHEBI:204067)

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CHEBI:204067 - Tylopeptin A

ChEBI ID	CHEBI:204067
ChEBI Name	Tylopeptin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C73H120N18O19
Net Charge	0
Average Mass	1553.870
Monoisotopic Mass	1552.89771
SMILES	CC[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(C)C
InChI	InChI=1S/C73H120N18O19/c1-21-73(20,91-67(109)72(18,19)90-63(105)54(38(6)7)86-60(102)50(80-42(11)94)32-43-33-76-46-25-23-22-24-45(43)46)68(110)79-40(9)55(97)82-47(26-28-52(74)95)58(100)77-41(10)57(99)87-70(14,15)66(108)85-51(35-93)62(104)89-69(12,13)64(106)78-39(8)56(98)83-49(31-37(4)5)61(103)88-71(16,17)65(107)84-48(27-29-53(75)96)59(101)81-44(34-92)30-36(2)3/h22-25,33,36-41,44,47-51,54,76,92-93H,21,26-32,34-35H2,1-20H3,(H2,74,95)(H2,75,96)(H,77,100)(H,78,106)(H,79,110)(H,80,94)(H,81,101)(H,82,97)(H,83,98)(H,84,107)(H,85,108)(H,86,102)(H,87,99)(H,88,103)(H,89,104)(H,90,105)(H,91,109)/t39-,40-,41-,44-,47-,48-,49-,50-,51-,54-,73+/m0/s1
InChIKey	ZXSAQOASWXTEMJ-SYWGTLAGSA-N

Species of Metabolite	Component	Source	Comments
Tylopilus neofelleus (ncbitaxon:1089184)	-	PubMed (10656572)

Roles Classification

Chemical Role:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Tylopeptin A (CHEBI:204067) is a polypeptide (CHEBI:15841)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

IUPAC Name

(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

Manual Xrefs	Databases
8255784	ChemSpider