PGLa (CHEBI:201475)

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CHEBI:201475 - PGLa

ChEBI ID	CHEBI:201475
ChEBI Name	PGLa
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C88H162N26O22S
Net Charge	0
Average Mass	1968.491
Monoisotopic Mass	1967.20777
SMILES	CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)CN)C(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)CC
InChI	InChI=1S/C88H162N26O22S/c1-19-48(9)69(113-78(126)52(13)97-66(117)42-95-72(120)50(11)98-79(127)59(31-23-27-36-91)108-85(133)64(44-115)111-77(125)54(15)100-81(129)61(33-38-137-18)104-65(116)41-93)87(135)101-51(12)73(121)96-43-67(118)105-57(29-21-25-34-89)82(130)114-70(49(10)20-2)88(136)103-55(16)74(122)106-60(32-24-28-37-92)83(131)112-68(47(7)8)86(134)102-56(17)76(124)110-63(40-46(5)6)84(132)107-58(30-22-26-35-90)80(128)99-53(14)75(123)109-62(71(94)119)39-45(3)4/h45-64,68-70,115H,19-44,89-93H2,1-18H3,(H2,94,119)(H,95,120)(H,96,121)(H,97,117)(H,98,127)(H,99,128)(H,100,129)(H,101,135)(H,102,134)(H,103,136)(H,104,116)(H,105,118)(H,106,122)(H,107,132)(H,108,133)(H,109,123)(H,110,124)(H,111,125)(H,112,131)(H,113,126)(H,114,130)
InChIKey	PJRSUKFWFKUDTH-UHFFFAOYSA-N

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	PGLa (CHEBI:201475) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulanylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]hexanamide

IUPAC Name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulanylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]hexanamide

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