MTC A (CHEBI:203888)

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CHEBI:203888 - MTC A

ChEBI ID	CHEBI:203888
ChEBI Name	MTC A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C91H150N22O24
Net Charge	0
Average Mass	1936.331
Monoisotopic Mass	1935.11933
SMILES	CC(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)CC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1)C(C)C)C(C)C
InChI	InChI=1S/C91H150N22O24/c1-46(2)41-58(72(126)109-91(25,26)83(137)113-40-30-33-59(113)73(127)103-65(47(3)4)74(128)111-90(23,24)82(136)112-89(21,22)80(134)102-56(35-38-62(93)118)60(116)43-54(34-37-61(92)117)70(124)99-55(45-114)42-53-31-28-27-29-32-53)100-64(120)44-95-76(130)84(11,12)110-75(129)66(48(5)6)104-81(135)88(19,20)108-71(125)57(36-39-63(94)119)101-67(121)49(7)96-78(132)86(15,16)106-69(123)51(9)98-79(133)87(17,18)107-68(122)50(8)97-77(131)85(13,14)105-52(10)115/h27-29,31-32,46-51,54-59,65-66,114H,30,33-45H2,1-26H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,130)(H,96,132)(H,97,131)(H,98,133)(H,99,124)(H,100,120)(H,101,121)(H,102,134)(H,103,127)(H,104,135)(H,105,115)(H,106,123)(H,107,122)(H,108,125)(H,109,126)(H,110,129)(H,111,128)(H,112,136)
InChIKey	MHFQJGDAGRDFMM-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)
	MTC A (CHEBI:203888) is a peptide (CHEBI:16670)

IUPAC Name
6-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-N-(1-hydroxy-3-phenylpropan-2-yl)-5-oxooctane-1,3,8-tricarboxamide

IUPAC Name

6-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-N-(1-hydroxy-3-phenylpropan-2-yl)-5-oxooctane-1,3,8-tricarboxamide

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