Piscicolin-61 (CHEBI:205050)

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CHEBI:205050 - Piscicolin-61

ChEBI ID	CHEBI:205050
ChEBI Name	Piscicolin-61
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C63H101N19O25S
Net Charge	0
Average Mass	1556.676
Monoisotopic Mass	1555.69367
SMILES	CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(=O)O)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(N)=O)C(C)C
InChI	InChI=1S/C63H101N19O25S/c1-29(2)18-37(52(68)96)76-61(105)42(27-84)81-60(104)41(26-83)73-47(90)24-69-54(98)34(8-6-7-16-64)72-46(89)23-70-55(99)38(19-31-9-11-32(86)12-10-31)77-59(103)39(21-45(67)88)79-63(107)51(30(3)4)82-48(91)25-71-56(100)40(22-50(94)95)78-62(106)43(28-85)80-58(102)36(15-17-108-5)75-57(101)35(13-14-44(66)87)74-53(97)33(65)20-49(92)93/h9-12,29-30,33-43,51,83-86H,6-8,13-28,64-65H2,1-5H3,(H2,66,87)(H2,67,88)(H2,68,96)(H,69,98)(H,70,99)(H,71,100)(H,72,89)(H,73,90)(H,74,97)(H,75,101)(H,76,105)(H,77,103)(H,78,106)(H,79,107)(H,80,102)(H,81,104)(H,82,91)(H,92,93)(H,94,95)
InChIKey	QCFJNSVYJRNPNK-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Carnobacterium (ncbitaxon:2747)	-	PubMed (7764997)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Piscicolin-61 (CHEBI:205050) is a polypeptide (CHEBI:15841)

IUPAC Name
3-amino-4-[[5-amino-1-[[1-[[1-[[1-[[2-[[1-[[4-amino-1-[[1-[[2-[[6-amino-1-[[2-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid

IUPAC Name

3-amino-4-[[5-amino-1-[[1-[[1-[[1-[[2-[[1-[[4-amino-1-[[1-[[2-[[6-amino-1-[[2-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid

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78444095	ChemSpider