Propeptin (CHEBI:205248)

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CHEBI:205248 - Propeptin

ChEBI ID	CHEBI:205248
ChEBI Name	Propeptin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C113H142N26O27
Net Charge	0
Average Mass	2296.534
Monoisotopic Mass	2295.05377
SMILES	CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1cncn1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C1CC(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCCC2C(=O)NC(Cc2cnc3ccccc23)C(=O)NC(Cc2cnc3ccccc23)C(=O)NC(CC(=O)O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N1)C(C)O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)O
InChI	InChI=1S/C113H142N26O27/c1-6-61(4)95(108(161)135-87(58-140)111(164)139-41-19-30-89(139)112(165)166)136-105(158)80(44-64-22-11-8-12-23-64)134-109(162)96(62(5)141)137-106(159)83(49-69-54-116-59-123-69)124-92(146)57-121-91(145)55-122-97(150)78(43-63-20-9-7-10-21-63)128-99(152)77(42-60(2)3)127-103(156)84-50-90(144)120-56-93(147)125-86(46-66-33-37-71(143)38-34-66)110(163)138-40-18-29-88(138)107(160)133-82(48-68-53-119-75-27-16-14-25-73(68)75)102(155)130-81(47-67-52-118-74-26-15-13-24-72(67)74)101(154)132-85(51-94(148)149)104(157)129-79(45-65-31-35-70(142)36-32-65)100(153)126-76(98(151)131-84)28-17-39-117-113(114)115/h7-16,20-27,31-38,52-54,59-62,76-89,95-96,118-119,140-143H,6,17-19,28-30,39-51,55-58H2,1-5H3,(H,116,123)(H,120,144)(H,121,145)(H,122,150)(H,124,146)(H,125,147)(H,126,153)(H,127,156)(H,128,152)(H,129,157)(H,130,155)(H,131,151)(H,132,154)(H,133,160)(H,134,162)(H,135,161)(H,136,158)(H,137,159)(H,148,149)(H,165,166)(H4,114,115,117)
InChIKey	VIRBPQIAVNKZST-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Microbisporaspecies (ncbitaxon:1898321)	-	PubMed (12014445)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Propeptin (CHEBI:205248) is a polypeptide (CHEBI:15841)

IUPAC Name
1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[13-(3-carbamimidamidopropyl)-19-(carboxymethyl)-3,16-bis[(4-hydroxyphenyl)methyl]-22,25-bis(1H-indol-3-ylmethyl)-2,5,8,12,15,18,21,24,27-nonaoxo-1,4,7,11,14,17,20,23,26-nonazabicyclo[26.3.0]hentriacontane-10-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

IUPAC Name

1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[13-(3-carbamimidamidopropyl)-19-(carboxymethyl)-3,16-bis[(4-hydroxyphenyl)methyl]-22,25-bis(1H-indol-3-ylmethyl)-2,5,8,12,15,18,21,24,27-nonaoxo-1,4,7,11,14,17,20,23,26-nonazabicyclo[26.3.0]hentriacontane-10-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

Manual Xrefs	Databases
78444106	ChemSpider