Thermophilin A (CHEBI:208979)

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CHEBI:208979 - Thermophilin A

ChEBI ID	CHEBI:208979
ChEBI Name	Thermophilin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C74H121N17O24S2
Net Charge	0
Average Mass	1697.011
Monoisotopic Mass	1695.82118
SMILES	CCC(C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CCSC)C(C)O)C(C)CC)C(C)O)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(C=O)CCC(=O)O)C(C)C
InChI	InChI=1S/C74H121N17O24S2/c1-13-37(7)57(88-74(115)60(41(11)94)91-72(113)58(38(8)14-2)89-73(114)59(40(10)93)90-67(108)48(30-52(77)95)81-62(103)44(76)25-27-117-12)71(112)86-51(34-116)69(110)80-45(22-18-19-26-75)63(104)82-47(29-42-20-16-15-17-21-42)66(107)84-50(32-55(100)101)68(109)87-56(36(5)6)70(111)85-46(28-35(3)4)65(106)83-49(31-54(98)99)64(105)78-39(9)61(102)79-43(33-92)23-24-53(96)97/h15-17,20-21,33,35-41,43-51,56-60,93-94,116H,13-14,18-19,22-32,34,75-76H2,1-12H3,(H2,77,95)(H,78,105)(H,79,102)(H,80,110)(H,81,103)(H,82,104)(H,83,106)(H,84,107)(H,85,111)(H,86,112)(H,87,109)(H,88,115)(H,89,114)(H,90,108)(H,91,113)(H,96,97)(H,98,99)(H,100,101)
InChIKey	FTZLHLKTZNHYCV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptococcus thermophilus (ncbitaxon:1308)	-	DOI (10.1007/bf00172834)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Thermophilin A (CHEBI:208979) is a peptide (CHEBI:16670)

IUPAC Name
4-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-sulanylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoylamino]-5-oxopentanoic acid

IUPAC Name

4-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-sulanylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoylamino]-5-oxopentanoic acid

Manual Xrefs	Databases
78444535	ChemSpider