Cephaibol Q (CHEBI:216358)

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CHEBI:216358 - Cephaibol Q

ChEBI ID	CHEBI:216358
ChEBI Name	Cephaibol Q
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C89H137N19O24
Net Charge	0
Average Mass	1857.184
Monoisotopic Mass	1856.00839
SMILES	CCC(C)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(CC)NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)O)C(C)O
InChI	InChI=1S/C89H137N19O24/c1-19-48(5)65(99-79(128)85(10,11)100-69(117)55(36-38-64(91)114)96-80(129)89(18,20-2)105-71(119)58(92-50(7)111)43-52-31-25-22-26-32-52)75(123)98-66(49(6)110)76(124)104-84(8,9)78(127)97-56(41-47(3)4)70(118)102-86(12,13)81(130)106-39-27-33-60(106)72(120)93-54(35-37-63(90)113)68(116)101-88(16,17)83(132)108-45-53(112)44-62(108)74(122)103-87(14,15)82(131)107-40-28-34-61(107)73(121)94-57(42-51-29-23-21-24-30-51)67(115)95-59(46-109)77(125)126/h21-26,29-32,47-49,53-62,65-66,109-110,112H,19-20,27-28,33-46H2,1-18H3,(H2,90,113)(H2,91,114)(H,92,111)(H,93,120)(H,94,121)(H,95,115)(H,96,129)(H,97,127)(H,98,123)(H,99,128)(H,100,117)(H,101,116)(H,102,118)(H,103,122)(H,104,124)(H,105,119)(H,125,126)
InChIKey	FTIJEQDBVFBQOD-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Emericellopsis tubakii (ncbitaxon:146077)	-	PubMed (11372779)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Cephaibol Q (CHEBI:216358) is a oligopeptide (CHEBI:25676)

IUPAC Name
2-[[2-[[1-[2-[[1-[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid

IUPAC Name

2-[[2-[[1-[2-[[1-[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid

Manual Xrefs	Databases
19232455	ChemSpider