Anafp (CHEBI:199319)

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CHEBI:199319 - Anafp

ChEBI ID	CHEBI:199319
ChEBI Name	Anafp
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C96H151N29O33S2
Net Charge	0
Average Mass	2303.568
Monoisotopic Mass	2302.04705
SMILES	CC(C)CC(N)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cncn1)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CS)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(N)=O)C(C)O)C(C)O
InChI	InChI=1S/C96H151N29O33S2/c1-45(2)30-54(99)79(142)120-66(40-126)90(153)112-56(13-8-10-28-98)83(146)116-62(32-49-15-19-52(130)20-16-49)80(143)107-38-71(133)106-39-72(134)109-58(23-25-73(135)136)84(147)122-68(42-159)92(155)121-67(41-127)91(154)115-61(31-46(3)4)86(149)113-59(24-26-74(137)138)85(148)117-64(34-51-37-104-44-108-51)88(151)118-65(35-70(100)132)89(152)124-77(48(6)129)95(158)123-69(43-160)93(156)125-76(47(5)128)94(157)119-63(33-50-17-21-53(131)22-18-50)87(150)111-57(14-11-29-105-96(102)103)81(144)110-55(12-7-9-27-97)82(145)114-60(78(101)141)36-75(139)140/h15-22,37,44-48,54-69,76-77,126-131,159-160H,7-14,23-36,38-43,97-99H2,1-6H3,(H2,100,132)(H2,101,141)(H,104,108)(H,106,133)(H,107,143)(H,109,134)(H,110,144)(H,111,150)(H,112,153)(H,113,149)(H,114,145)(H,115,154)(H,116,146)(H,117,148)(H,118,151)(H,119,157)(H,120,142)(H,121,155)(H,122,147)(H,123,158)(H,124,152)(H,125,156)(H,135,136)(H,137,138)(H,139,140)(H4,102,103,105)
InChIKey	CESUCQNBEIJPAL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus niger (ncbitaxon:5061)	-	PubMed (10512732)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Anafp (CHEBI:199319) is a polypeptide (CHEBI:15841)

IUPAC Name
5-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[(1-amino-3-carboxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-4-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoic acid

IUPAC Name

5-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[(1-amino-3-carboxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-4-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoic acid

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78444620	ChemSpider