MTC C (CHEBI:226806)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226806 - MTC C

ChEBI ID	CHEBI:226806
ChEBI Name	MTC C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C92H152N22O24
Net Charge	0
Average Mass	1950.358
Monoisotopic Mass	1949.13498
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)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/C92H152N22O24/c1-47(2)42-58(71(126)109-92(26,27)83(138)114-41-31-34-59(114)72(127)103-65(48(3)4)73(128)111-91(24,25)82(137)113-88(18,19)78(133)101-56(36-39-62(94)119)60(117)44-54(35-38-61(93)118)69(124)99-55(46-115)43-53-32-29-28-30-33-53)100-64(121)45-96-75(130)84(10,11)110-74(129)66(49(5)6)104-80(135)87(16,17)108-70(125)57(37-40-63(95)120)102-79(134)89(20,21)112-81(136)90(22,23)107-68(123)51(8)98-77(132)86(14,15)106-67(122)50(7)97-76(131)85(12,13)105-52(9)116/h28-30,32-33,47-51,54-59,65-66,115H,31,34-46H2,1-27H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,130)(H,97,131)(H,98,132)(H,99,124)(H,100,121)(H,101,133)(H,102,134)(H,103,127)(H,104,135)(H,105,116)(H,106,122)(H,107,123)(H,108,125)(H,109,126)(H,110,129)(H,111,128)(H,112,136)(H,113,137)
InChIKey	YHTHRBUDVXMMRI-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 C (CHEBI:226806) 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]-2-methylpropanoyl]amino]-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]-2-methylpropanoyl]amino]-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

Manual Xrefs	Databases
78444878	ChemSpider