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CHEBI:200403 - Michiganin A

ChEBI IDCHEBI:200403
ChEBI NameMichiganin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC92H145N25O26S4
Net Charge0
Average Mass2145.589
Monoisotopic Mass2143.96754
SMILESC/C=C(\NC(=O)[C@@H]1CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCSC[C@@H]2NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC2=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O
InChIInChI=1S/C92H145N25O26S4/c1-13-45(9)70-88(139)105-54(23-24-69(122)123)78(129)110-62(38-144)76(127)99-34-67(120)101-55-25-28-145-40-64(86(137)106-57(91(142)143)22-19-27-96-92(94)95)111-73(124)48(12)100-84(135)63(114-89(140)71(46(10)14-2)117-90(141)72(47(11)15-3)116-79(55)130)39-146-29-26-56(80(131)115-70)104-81(132)58(30-43(5)6)107-77(128)52(16-4)103-85(136)66-42-147-41-65(112-74(125)51(93)36-118)87(138)109-61(37-119)75(126)98-35-68(121)102-60(32-49-33-97-53-21-18-17-20-50(49)53)83(134)108-59(31-44(7)8)82(133)113-66/h16-18,20-21,33,43-48,51,54-66,70-72,97,118-119,144H,13-15,19,22-32,34-42,93H2,1-12H3,(H,98,126)(H,99,127)(H,100,135)(H,101,120)(H,102,121)(H,103,136)(H,104,132)(H,105,139)(H,106,137)(H,107,128)(H,108,134)(H,109,138)(H,110,129)(H,111,124)(H,112,125)(H,113,133)(H,114,140)(H,115,131)(H,116,130)(H,117,141)(H,122,123)(H,142,143)(H4,94,95,96)/b52-16-/t45-,46-,47-,48-,51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-/m0/s1
InChIKeyMTKXZQFBKJNJJF-MJLJTCNBSA-N
Species of MetaboliteComponentSourceComments
Clavibacter michiganensis (ncbitaxon:28447) - PubMed (16957199)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Michiganin A (CHEBI:200403) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(1S,7R,10S,13S,16S,21R,24S,27R,34S,37S)-16-[[(2S)-2-[[(Z)-2-[[(3R,6S,9S,15S,18R)-18-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-15-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carbonyl]amino]but-2-enoyl]amino]-4-methylpentanoyl]amino]-13,34,37-tris[(2S)-butan-2-yl]-10-(2-carboxyethyl)-24-methyl-3,6,9,12,15,22,25,32,35,38-decaoxo-7-(sulanylmethyl)-19,29-dithia-2,5,8,11,14,23,26,33,36,39-decazabicyclo[19.10.8]nonatriacontane-27-carbonyl]amino]-5-carbamimidamidopentanoic acid
Manual XrefsDatabases
78439960ChemSpider