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CHEBI:201167 - Clonostachin B

ChEBI IDCHEBI:201167
ChEBI NameClonostachin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H136N14O25
Net Charge0
Average Mass1682.030
Monoisotopic Mass1680.98011
SMILESCC[C@H](C)[C@@H](NC(=O)[C@@](C)(CC)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@](C)(CC)NC(=O)[C@@](C)(CC)NC(=O)C(C)(C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C(C)(C)NC(C)=O)C(=O)OC(C(O)CO)C(O)C(O)CO
InChIInChI=1S/C79H136N14O25/c1-22-42(11)56(65(110)118-58(55(102)39-95)57(103)54(101)38-94)82-67(112)75(17,23-2)87-64(109)53-33-47(100)37-93(53)72(117)79(21,27-6)89-68(113)76(18,24-3)88-66(111)73(13,14)84-63(108)52-32-46(99)36-92(52)71(116)78(20,26-5)86-60(105)49(29-41(9)10)81-62(107)51-31-45(98)35-91(51)70(115)77(19,25-4)85-59(104)48(28-40(7)8)80-61(106)50-30-44(97)34-90(50)69(114)74(15,16)83-43(12)96/h40-42,44-58,94-95,97-103H,22-39H2,1-21H3,(H,80,106)(H,81,107)(H,82,112)(H,83,96)(H,84,108)(H,85,104)(H,86,105)(H,87,109)(H,88,111)(H,89,113)/t42-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54?,55?,56+,57?,58?,75+,76+,77-,78+,79+/m0/s1
InChIKeyDQJJFHGENNOEQH-PREXDMPBSA-N
Species of MetaboliteComponentSourceComments
Clonostachys (ncbitaxon:110564) - PubMed (23806109)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Clonostachin B (CHEBI:201167) is a oligopeptide (CHEBI:25676)
IUPAC Name 
1,2,4,5,6-pentahydroxyhexan-3-yl (2R,3S)-2-[[(2R)-2-[[(2S,4R)-1-[(2R)-2-[[(2R)-2-[[2-[[(2S,4R)-1-[(2R)-2-[[(2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-acetamido-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-3-methylpentanoate
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