Cephaibol P (CHEBI:197813)

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CHEBI:197813 - Cephaibol P

ChEBI ID	CHEBI:197813
ChEBI Name	Cephaibol P
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C89H137N19O25
Net Charge	0
Average Mass	1873.183
Monoisotopic Mass	1872.00330
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)N1CC(O)CC1C(=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/C89H137N19O25/c1-19-47(5)65(99-79(129)85(10,11)100-69(118)55(34-36-64(91)115)96-80(130)89(18,20-2)105-71(120)58(92-49(7)111)40-51-30-25-22-26-31-51)75(124)98-66(48(6)110)76(125)104-84(8,9)78(128)97-56(38-46(3)4)70(119)102-88(16,17)82(132)107-43-52(112)41-61(107)73(122)93-54(33-35-63(90)114)68(117)101-87(14,15)83(133)108-44-53(113)42-62(108)74(123)103-86(12,13)81(131)106-37-27-32-60(106)72(121)94-57(39-50-28-23-21-24-29-50)67(116)95-59(45-109)77(126)127/h21-26,28-31,46-48,52-62,65-66,109-110,112-113H,19-20,27,32-45H2,1-18H3,(H2,90,114)(H2,91,115)(H,92,111)(H,93,122)(H,94,121)(H,95,116)(H,96,130)(H,97,128)(H,98,124)(H,99,129)(H,100,118)(H,101,117)(H,102,119)(H,103,123)(H,104,125)(H,105,120)(H,126,127)
InChIKey	CAUFVUKRMWMYQC-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 P (CHEBI:197813) 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]-4-hydroxypyrrolidine-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]-4-hydroxypyrrolidine-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

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