Plw-alpha (CHEBI:224578)

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CHEBI:224578 - Plw-alpha

ChEBI ID	CHEBI:224578
ChEBI Name	Plw-alpha
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C82H136N22O21S
Net Charge	0
Average Mass	1798.190
Monoisotopic Mass	1796.99711
SMILES	CCC(C)C(NC(=O)C(CCCCN)NC(O)C(CO)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)CCSC)C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(C=O)Cc1ccccc1
InChI	InChI=1S/C82H136N22O21S/c1-8-46(3)66(103-76(120)56(29-18-21-38-85)98-79(123)62(45-106)102-81(125)67(47(4)9-2)104-75(119)55(28-17-20-37-84)96-70(114)53(86)35-40-126-7)80(124)99-59(32-34-64(108)109)72(116)92-49(6)69(113)95-58(31-33-63(87)107)71(115)91-48(5)68(112)94-57(30-22-39-90-82(88)89)73(117)97-54(27-16-19-36-83)74(118)101-61(43-65(110)111)78(122)100-60(42-51-25-14-11-15-26-51)77(121)93-52(44-105)41-50-23-12-10-13-24-50/h10-15,23-26,44,46-49,52-62,66-67,79,98,106,123H,8-9,16-22,27-43,45,83-86H2,1-7H3,(H2,87,107)(H,91,115)(H,92,116)(H,93,121)(H,94,112)(H,95,113)(H,96,114)(H,97,117)(H,99,124)(H,100,122)(H,101,118)(H,102,125)(H,103,120)(H,104,119)(H,108,109)(H,110,111)(H4,88,89,90)
InChIKey	BQGBJFSYHVCAAH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Lactiplantibacillus plantarum (ncbitaxon:1590)	-	PubMed (11238971)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Plw-alpha (CHEBI:224578) is a polypeptide (CHEBI:15841)

IUPAC Name
4-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-1,3-dihydroxypropyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-[[1-[[5-amino-1-[[1-[[1-[[6-amino-1-[[3-carboxy-1-oxo-1-[[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

IUPAC Name

4-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-1,3-dihydroxypropyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-[[1-[[5-amino-1-[[1-[[1-[[6-amino-1-[[3-carboxy-1-oxo-1-[[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

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78444578	ChemSpider