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CHEBI:219341 - Cephaibol E

ChEBI IDCHEBI:219341
ChEBI NameCephaibol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC81H125N17O20
Net Charge0
Average Mass1656.990
Monoisotopic Mass1655.92868
SMILESCC[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CC(O)CN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CC(O)C[C@H]1C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C81H125N17O20/c1-20-81(19,73(118)98-43-51(102)40-57(98)65(110)90-79(15,16)71(116)96-35-27-32-55(96)63(108)85-49(44-99)37-47-28-23-21-24-29-47)91-60(105)52(33-34-58(82)103)87-64(109)56-39-50(101)42-97(56)72(117)80(17,18)95-68(113)76(9,10)88-61(106)53(36-45(2)3)86-59(104)41-83-66(111)74(5,6)92-69(114)77(11,12)94-70(115)78(13,14)93-67(112)75(7,8)89-62(107)54(84-46(4)100)38-48-30-25-22-26-31-48/h21-26,28-31,45,49-57,99,101-102H,20,27,32-44H2,1-19H3,(H2,82,103)(H,83,111)(H,84,100)(H,85,108)(H,86,104)(H,87,109)(H,88,106)(H,89,107)(H,90,110)(H,91,105)(H,92,114)(H,93,112)(H,94,115)(H,95,113)/t49?,50?,51?,52-,53-,54-,55-,56-,57-,81-/m0/s1
InChIKeyUQMQRNFPZAICEG-HYMQWPCUSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (11372779)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cephaibol E (CHEBI:219341) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[(2S)-4-hydroxy-2-[[1-[(2S)-2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide