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CHEBI:198678 - Hypomurocin B-3a

ChEBI IDCHEBI:198678
ChEBI NameHypomurocin B-3a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H138N20O21
Net Charge0
Average Mass1704.092
Monoisotopic Mass1703.03454
SMILESCC(=O)NC(C)(C)C(=O)NC(C)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/C79H138N20O21/c1-39(2)35-48(85-57(106)43(9)83-56(105)44(10)84-65(114)73(14,15)91-45(11)101)60(109)94-74(16,17)66(115)89-47(31-33-53(81)103)59(108)93-75(18,19)68(117)90-55(42(7)8)63(112)96-72(12,13)64(113)82-37-54(104)92-77(22,23)69(118)98-79(26,27)71(120)99-34-28-29-51(99)62(111)86-49(36-40(3)4)61(110)95-78(24,25)70(119)97-76(20,21)67(116)88-46(30-32-52(80)102)58(107)87-50(38-100)41(5)6/h39-44,46-51,55,100H,28-38H2,1-27H3,(H2,80,102)(H2,81,103)(H,82,113)(H,83,105)(H,84,114)(H,85,106)(H,86,111)(H,87,107)(H,88,116)(H,89,115)(H,90,117)(H,91,101)(H,92,104)(H,93,108)(H,94,109)(H,95,110)(H,96,112)(H,97,119)(H,98,118)
InChIKeyVLNMXJHADNGRFF-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-3a (CHEBI:198678) 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]propanoylamino]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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