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CHEBI:219248 - Lagmysin

Default Structure
ChEBI IDCHEBI:219248
ChEBI NameLagmysin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H109N19O21
Net Charge0
Average Mass1516.721
Monoisotopic Mass1515.80454
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)O
InChIInChI=1S/C67H109N19O21/c1-32(2)17-40(58(97)72-25-52(91)70-26-53(92)78-44(22-38-24-69-31-74-38)62(101)85-47(29-87)64(103)82-43(20-35(7)8)61(100)84-46(67(106)107)21-36(9)10)80-60(99)42(19-34(5)6)81-63(102)45-23-51(90)77-41(18-33(3)4)59(98)75-37(11)56(95)71-27-54(93)76-39(14-15-50(68)89)57(96)73-28-55(94)79-48(30-88)66(105)86-16-12-13-49(86)65(104)83-45/h24,31-37,39-49,87-88H,12-23,25-30H2,1-11H3,(H2,68,89)(H,69,74)(H,70,91)(H,71,95)(H,72,97)(H,73,96)(H,75,98)(H,76,93)(H,77,90)(H,78,92)(H,79,94)(H,80,99)(H,81,102)(H,82,103)(H,83,104)(H,84,100)(H,85,101)(H,106,107)/t37-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKeyZTQPYZKGVGYZEI-MIHBLRRSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies NRRL S-118 (ncbitaxon:1463881) - PubMed (28244986)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lagmysin (CHEBI:219248) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(3S,9S,15S,18S,22S,25S)-9-(3-amino-3-oxopropyl)-3-(hydroxymethyl)-15-methyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-1,4,7,10,13,16,19,23-octazabicyclo[23.3.0]octacosane-22-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid