Cephaibol A2 (CHEBI:212850)

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CHEBI:212850 - Cephaibol A2

ChEBI ID	CHEBI:212850
ChEBI Name	Cephaibol A2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C83H129N17O20
Net Charge	0
Average Mass	1685.044
Monoisotopic Mass	1683.95998
SMILES	CCC(C)(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC)C(=O)N1CC(O)CC1C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)Cc1ccccc1
InChI	InChI=1S/C83H129N17O20/c1-21-82(19,92-64(109)55(38-46(3)4)89-61(106)47(5)85-68(113)76(7,8)94-70(115)78(11,12)96-71(116)79(13,14)95-69(114)77(9,10)90-63(108)56(86-48(6)102)40-50-32-27-24-28-33-50)72(117)97-81(17,18)74(119)99-43-52(103)41-58(99)66(111)88-54(35-36-60(84)105)62(107)93-83(20,22-2)75(120)100-44-53(104)42-59(100)67(112)91-80(15,16)73(118)98-37-29-34-57(98)65(110)87-51(45-101)39-49-30-25-23-26-31-49/h23-28,30-33,46-47,51-59,101,103-104H,21-22,29,34-45H2,1-20H3,(H2,84,105)(H,85,113)(H,86,102)(H,87,110)(H,88,111)(H,89,106)(H,90,108)(H,91,112)(H,92,109)(H,93,107)(H,94,115)(H,95,114)(H,96,116)(H,97,117)
InChIKey	IDUVRFSEBPQZFC-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 A2 (CHEBI:212850) is a oligopeptide (CHEBI:25676)

IUPAC Name
2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[1-[4-hydroxy-2-[[1-[2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide

IUPAC Name

2-[[1-[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[1-[4-hydroxy-2-[[1-[2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide

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