Linocin M18 (CHEBI:198774)

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CHEBI:198774 - Linocin M18

ChEBI ID	CHEBI:198774
ChEBI Name	Linocin M18
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C91H146N24O27S
Net Charge	0
Average Mass	2040.377
Monoisotopic Mass	2039.05100
SMILES	CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(N)CCSC)C(C)CC)C(=O)O
InChI	InChI=1S/C91H146N24O27S/c1-14-46(7)71(89(140)115-36-18-21-63(115)85(136)98-43-68(119)113-34-17-22-64(113)86(137)101-49(10)74(125)99-48(9)73(124)100-50(11)75(126)103-57(29-31-70(122)123)79(130)112-72(90(141)142)47(8)15-2)111-87(138)65-23-19-35-114(65)88(139)51(12)102-80(131)58(38-44(3)4)107-78(129)56(28-30-69(120)121)105-77(128)55(20-16-33-97-91(95)96)104-82(133)60(40-52-24-26-53(116)27-25-52)109-81(132)59(39-45(5)6)108-84(135)62(42-67(94)118)110-83(134)61(41-66(93)117)106-76(127)54(92)32-37-143-13/h24-27,44-51,54-65,71-72,116H,14-23,28-43,92H2,1-13H3,(H2,93,117)(H2,94,118)(H,98,136)(H,99,125)(H,100,124)(H,101,137)(H,102,131)(H,103,126)(H,104,133)(H,105,128)(H,106,127)(H,107,129)(H,108,135)(H,109,132)(H,110,134)(H,111,138)(H,112,130)(H,120,121)(H,122,123)(H,141,142)(H4,95,96,97)
InChIKey	GZNURBUEENTXCG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Brevibacterium linens (ncbitaxon:1703)	-	PubMed (7986050)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Linocin M18 (CHEBI:198774) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[2-[2-[2-[[1-[2-[[1-[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[4-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoylamino]propanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

IUPAC Name

2-[[2-[2-[2-[2-[[1-[2-[[1-[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[4-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoylamino]propanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

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