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CHEBI:207920 - Hypomurocin B-1

ChEBI IDCHEBI:207920
ChEBI NameHypomurocin B-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H138N20O22
Net Charge0
Average Mass1720.091
Monoisotopic Mass1719.02946
SMILESCC(=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)C(C)C)C(C)C
InChIInChI=1S/C79H138N20O22/c1-39(2)34-47(84-56(106)43(9)83-58(108)50(38-101)89-65(115)73(13,14)91-44(10)102)60(110)94-74(15,16)66(116)88-46(30-32-53(81)104)59(109)93-75(17,18)68(118)90-55(42(7)8)63(113)96-72(11,12)64(114)82-36-54(105)92-77(21,22)69(119)98-79(25,26)71(121)99-33-27-28-51(99)62(112)85-48(35-40(3)4)61(111)95-78(23,24)70(120)97-76(19,20)67(117)87-45(29-31-52(80)103)57(107)86-49(37-100)41(5)6/h39-43,45-51,55,100-101H,27-38H2,1-26H3,(H2,80,103)(H2,81,104)(H,82,114)(H,83,108)(H,84,106)(H,85,112)(H,86,107)(H,87,117)(H,88,116)(H,89,115)(H,90,118)(H,91,102)(H,92,105)(H,93,109)(H,94,110)(H,95,111)(H,96,113)(H,97,120)(H,98,119)
InChIKeyAJGTYVVYMHNIJE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
[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-1 (CHEBI:207920) 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-3-methylbutan-2-yl)pentanediamide
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