Hypomurocin B-5 (CHEBI:224395)

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CHEBI:224395 - Hypomurocin B-5

ChEBI ID	CHEBI:224395
ChEBI Name	Hypomurocin B-5
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C81H142N20O22
Net Charge	0
Average Mass	1748.145
Monoisotopic Mass	1747.06076
SMILES	CCC(C)(NC(=O)CNC(=O)C(C)(C)NC(=O)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C
InChI	InChI=1S/C81H142N20O22/c1-27-81(26,72(122)100-80(24,25)73(123)101-34-28-29-53(101)64(114)88-51(37-43(6)7)63(113)97-79(22,23)71(121)99-78(20,21)69(119)89-48(30-32-54(82)105)59(109)86-47(39-102)35-41(2)3)94-56(107)38-84-66(116)74(12,13)98-65(115)57(44(8)9)92-70(120)77(18,19)95-61(111)49(31-33-55(83)106)90-68(118)76(16,17)96-62(112)50(36-42(4)5)87-58(108)45(10)85-60(110)52(40-103)91-67(117)75(14,15)93-46(11)104/h41-45,47-53,57,102-103H,27-40H2,1-26H3,(H2,82,105)(H2,83,106)(H,84,116)(H,85,110)(H,86,109)(H,87,108)(H,88,114)(H,89,119)(H,90,118)(H,91,117)(H,92,120)(H,93,104)(H,94,107)(H,95,111)(H,96,112)(H,97,113)(H,98,115)(H,99,121)(H,100,122)
InChIKey	KNWPJTIIAIGTBW-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
[Hypocrea muroiana (ncbitaxon:78397)	-	DOI (10.1002/jlac.199719970421)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Hypomurocin B-5 (CHEBI:224395) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide

IUPAC Name

2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide

Manual Xrefs	Databases
78444875	ChemSpider