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CHEBI:219333 - Cephaibol D

ChEBI IDCHEBI:219333
ChEBI NameCephaibol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC80H123N17O20
Net Charge0
Average Mass1642.963
Monoisotopic Mass1641.91303
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N1CC(O)C[C@H]1C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C80H123N17O20/c1-44(2)35-52(85-58(103)40-82-65(110)73(4,5)91-68(113)76(10,11)93-69(114)77(12,13)92-66(111)74(6,7)88-61(106)53(83-45(3)99)37-47-29-24-21-25-30-47)60(105)87-75(8,9)67(112)94-80(18,19)72(117)96-41-49(100)38-55(96)63(108)86-51(32-33-57(81)102)59(104)89-79(16,17)71(116)97-42-50(101)39-56(97)64(109)90-78(14,15)70(115)95-34-26-31-54(95)62(107)84-48(43-98)36-46-27-22-20-23-28-46/h20-25,27-30,44,48-56,98,100-101H,26,31-43H2,1-19H3,(H2,81,102)(H,82,110)(H,83,99)(H,84,107)(H,85,103)(H,86,108)(H,87,105)(H,88,106)(H,89,104)(H,90,109)(H,91,113)(H,92,111)(H,93,114)(H,94,112)/t48?,49?,50?,51-,52-,53-,54-,55-,56-/m0/s1
InChIKeyRJJBAWKMFSQLEV-RWZHRGJOSA-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 D (CHEBI:219333) 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-[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-oxopropan-2-yl]pentanediamide