Plantaricin W (CHEBI:224729)

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CHEBI:224729 - Plantaricin W

ChEBI ID	CHEBI:224729
ChEBI Name	Plantaricin W
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C75H131N25O21S
Net Charge	0
Average Mass	1751.094
Monoisotopic Mass	1749.96721
SMILES	CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(N)CCSC)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C=O)CC(C)C
InChI	InChI=1S/C75H131N25O21S/c1-10-38(4)57(71(119)88-39(5)60(108)94-53(34-56(80)107)69(117)95-51(32-43-21-23-45(105)24-22-43)68(116)89-44(35-101)31-37(2)3)98-61(109)40(6)87-67(115)52(33-55(79)106)96-65(113)47(17-11-13-26-76)90-63(111)49(19-15-28-85-74(81)82)91-64(112)50(20-16-29-86-75(83)84)92-70(118)54(36-102)97-73(121)59(42(8)104)100-66(114)48(18-12-14-27-77)93-72(120)58(41(7)103)99-62(110)46(78)25-30-122-9/h21-24,35,37-42,44,46-54,57-59,102-105H,10-20,25-34,36,76-78H2,1-9H3,(H2,79,106)(H2,80,107)(H,87,115)(H,88,119)(H,89,116)(H,90,111)(H,91,112)(H,92,118)(H,93,120)(H,94,108)(H,95,117)(H,96,113)(H,97,121)(H,98,109)(H,99,110)(H,100,114)(H4,81,82,85)(H4,83,84,86)
InChIKey	KAYJBPCHVFSMSY-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)
	Plantaricin W (CHEBI:224729) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[[2-[2-[[4-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-methylsulanylbutanoyl)amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]propanoylamino]-N-[3-(4-hydroxyphenyl)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]butanediamide

IUPAC Name

2-[2-[[2-[2-[[4-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-methylsulanylbutanoyl)amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]propanoylamino]-N-[3-(4-hydroxyphenyl)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]butanediamide

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