Hypomurocin B-2 (CHEBI:215502)

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CHEBI:215502 - Hypomurocin B-2

ChEBI ID	CHEBI:215502
ChEBI Name	Hypomurocin B-2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C80H140N20O22
Net Charge	0
Average Mass	1734.118
Monoisotopic Mass	1733.04511
SMILES	CC(=O)NC(C)(C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC(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(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)C(C)C
InChI	InChI=1S/C80H140N20O22/c1-40(2)34-46(38-101)85-58(108)47(29-31-53(81)104)88-68(118)77(19,20)98-71(121)79(23,24)96-62(112)50(36-42(5)6)87-63(113)52-28-27-33-100(52)72(122)80(25,26)99-70(120)78(21,22)93-55(106)37-83-65(115)73(11,12)97-64(114)56(43(7)8)91-69(119)76(17,18)94-60(110)48(30-32-54(82)105)89-67(117)75(15,16)95-61(111)49(35-41(3)4)86-57(107)44(9)84-59(109)51(39-102)90-66(116)74(13,14)92-45(10)103/h40-44,46-52,56,101-102H,27-39H2,1-26H3,(H2,81,104)(H2,82,105)(H,83,115)(H,84,109)(H,85,108)(H,86,107)(H,87,113)(H,88,118)(H,89,117)(H,90,116)(H,91,119)(H,92,103)(H,93,106)(H,94,110)(H,95,111)(H,96,112)(H,97,114)(H,98,121)(H,99,120)
InChIKey	YFXHDJFMHIOCEM-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-2 (CHEBI:215502) 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-methylpropanoyl]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-methylpropanoyl]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
78444892	ChemSpider