EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210028 - Myropeptin A2

ChEBI IDCHEBI:210028
ChEBI NameMyropeptin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC88H150N20O22
Net Charge0
Average Mass1840.286
Monoisotopic Mass1839.12336
SMILESCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C88H150N20O22/c1-27-28-29-30-31-32-33-34-35-42-58(110)96-86(21,22)75(128)107-48-37-40-55(107)65(118)99-84(17,18)73(126)105-88(25,26)77(130)108-49-38-41-56(108)66(119)100-83(15,16)72(125)104-87(23,24)76(129)106-47-36-39-54(106)64(117)93-53(4)63(116)97-78(5,6)67(120)89-45-43-57(109)92-52(3)62(115)98-82(13,14)71(124)101-79(7,8)68(121)90-46-44-59(111)95-81(11,12)70(123)103-85(19,20)74(127)102-80(9,10)69(122)94-51(2)61(114)91-50-60(112)113/h51-56H,27-50H2,1-26H3,(H,89,120)(H,90,121)(H,91,114)(H,92,109)(H,93,117)(H,94,122)(H,95,111)(H,96,110)(H,97,116)(H,98,115)(H,99,118)(H,100,119)(H,101,124)(H,102,127)(H,103,123)(H,104,125)(H,105,126)(H,112,113)/t51-,52-,53-,54-,55-,56-/m0/s1
InChIKeySVILHBHLAGERMJ-FMBXVYBVSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - PubMed (31497968)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Myropeptin A2 (CHEBI:210028) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[(2S)-2-[[2-[[2-[[2-[3-[[2-[[2-[[(2S)-2-[3-[[2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-(dodecanoylamino)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]acetic acid