Sakacin 674 (CHEBI:199746)

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CHEBI:199746 - Sakacin 674

ChEBI ID	CHEBI:199746
ChEBI Name	Sakacin 674
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C91H144N24O25S
Net Charge	0
Average Mass	2006.363
Monoisotopic Mass	2005.04552
SMILES	CSCCC(N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(Cc1cncn1)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C)C(C)C)C(C)C
InChI	InChI=1S/C91H144N24O25S/c1-46(2)34-60(81(130)101-51(11)76(125)113-74(49(7)8)90(139)115-75(50(9)10)91(140)114-73(48(5)6)89(138)99-42-70(120)98-43-72(123)124)105-87(136)66(40-71(121)122)111-79(128)58(23-17-19-32-93)103-85(134)64(38-54-41-97-45-100-54)109-88(137)67(44-116)112-82(131)61(35-47(3)4)106-83(132)63(37-53-24-26-55(117)27-25-53)108-86(135)65(39-69(96)119)110-84(133)62(36-52-20-14-13-15-21-52)107-80(129)59(28-29-68(95)118)104-78(127)57(22-16-18-31-92)102-77(126)56(94)30-33-141-12/h13-15,20-21,24-27,41,45-51,56-67,73-75,116-117H,16-19,22-23,28-40,42-44,92-94H2,1-12H3,(H2,95,118)(H2,96,119)(H,97,100)(H,98,120)(H,99,138)(H,101,130)(H,102,126)(H,103,134)(H,104,127)(H,105,136)(H,106,132)(H,107,129)(H,108,135)(H,109,137)(H,110,133)(H,111,128)(H,112,131)(H,113,125)(H,114,140)(H,115,139)(H,121,122)(H,123,124)
InChIKey	BVUJZFIJFGKUGQ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Latilactobacillus sakei (ncbitaxon:1599)	-	DOI (10.1016/0378-1097(94)90005-1)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Sakacin 674 (CHEBI:199746) is a polypeptide (CHEBI:15841)

IUPAC Name
3-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]-4-[[1-[[1-[[1-[[1-[[1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

IUPAC Name

3-[[6-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[6-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]-4-[[1-[[1-[[1-[[1-[[1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

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